1.0 2010-04-08 22:05:14 UTC 2020-02-24 19:10:25 UTC FDB002111 Systemin Constituent of the leaves of tomato (Lycopersicon esculentum) Systemin is a plant hormone involved in wound response. It was the first plant hormone that was proven to be a peptide. Systemin induces the production of protease inhibitors which protect against insect herbivores. Systemin is found in garden tomato. C85H144N26O28S 2010.275 2009.036408844 (3S)-4-[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyloxy]-3-[(2S,3R)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]butanamido]-3-hydroxybutanamido]-4-oxobutanoic acid (3S)-4-[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyloxy]-3-[(2S,3R)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]butanamido]-3-hydroxybutanamido]-4-oxobutanoic acid 137181-56-7 CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)77(131)100-49(25-27-61(91)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)79(133)109-35-14-22-58(109)81(135)108-34-13-21-57(108)76(130)105-56(42-113)74(128)98-47(18-7-10-31-87)69(123)97-48(20-12-33-95-85(93)94)70(124)102-53(39-63(117)118)80(134)110-36-15-23-59(110)82(136)111-37-16-24-60(111)84(138)139-83(137)54(40-64(119)120)103-78(132)66(45(4)114)107-73(127)50(26-28-62(92)116)99-72(126)51(29-38-140-5)96-68(122)46(90)17-6-9-30-86/h43-60,65-66,112-114H,6-42,86-90H2,1-5H3,(H2,91,115)(H2,92,116)(H,96,122)(H,97,123)(H,98,128)(H,99,126)(H,100,131)(H,101,129)(H,102,124)(H,103,132)(H,104,125)(H,105,130)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H4,93,94,95)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1 HOWHQWFXSLOJEF-MGZLOUMQSA-N belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Polypeptides Organic compounds Organic Polymers Polypeptides Aliphatic heteromonocyclic compounds Alanine and derivatives Alpha amino acid amides Amino acids Aspartic acid and derivatives Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acid anhydrides Carboxylic acids Dialkylthioethers Glutamine and derivatives Guanidines Hydrocarbon derivatives Methionine and derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Peptides Primary alcohols Primary carboxylic acid amides Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidine carboxylic acids Pyrrolidinecarboxamides Secondary alcohols Secondary carboxylic acid amides Serine and derivatives Sulfenyl compounds Tertiary carboxylic acid amides Tetracarboxylic acids and derivatives Valine and derivatives Alanine or derivatives Alcohol Aliphatic heteromonocyclic compound Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aspartic acid or derivatives Azacycle Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Carboxylic acid anhydride Carboxylic acid derivative Dialkylthioether Fatty acyl Fatty amide Glutamine or derivatives Guanidine Hydrocarbon derivative Methionine or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acylpyrrolidine N-substituted-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Polypeptide Primary alcohol Primary aliphatic amine Primary amine Primary carboxylic acid amide Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary alcohol Secondary carboxylic acid amide Serine or derivatives Sulfenyl compound Tertiary carboxylic acid amide Tetracarboxylic acid or derivatives Thioether Valine or derivatives logp -2.07 ALOGPS logs -4.08 ALOGPS solubility 1.68e-01 g/l ALOGPS logp -19 ChemAxon pka_strongest_acidic 3.18 ChemAxon pka_strongest_basic 11.07 ChemAxon iupac (3S)-4-[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyloxy]-3-[(2S,3R)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]butanamido]-3-hydroxybutanamido]-4-oxobutanoic acid ChemAxon average_mass 2010.275 ChemAxon mono_mass 2009.036408844 ChemAxon smiles CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C ChemAxon formula C85H144N26O28S ChemAxon inchi InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)77(131)100-49(25-27-61(91)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)79(133)109-35-14-22-58(109)81(135)108-34-13-21-57(108)76(130)105-56(42-113)74(128)98-47(18-7-10-31-87)69(123)97-48(20-12-33-95-85(93)94)70(124)102-53(39-63(117)118)80(134)110-36-15-23-59(110)82(136)111-37-16-24-60(111)84(138)139-83(137)54(40-64(119)120)103-78(132)66(45(4)114)107-73(127)50(26-28-62(92)116)99-72(126)51(29-38-140-5)96-68(122)46(90)17-6-9-30-86/h43-60,65-66,112-114H,6-42,86-90H2,1-5H3,(H2,91,115)(H2,92,116)(H,96,122)(H,97,123)(H,98,128)(H,99,126)(H,100,131)(H,101,129)(H,102,124)(H,103,132)(H,104,125)(H,105,130)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H4,93,94,95)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1 ChemAxon inchikey HOWHQWFXSLOJEF-MGZLOUMQSA-N ChemAxon polar_surface_area 889.78 ChemAxon refractivity 492.8 ChemAxon polarizability 205.46 ChemAxon rotatable_bond_count 65 ChemAxon acceptor_count 35 ChemAxon donor_count 26 ChemAxon physiological_charge 4 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 161049 Specdb::NmrOneD 161050 Specdb::NmrOneD 161051 Specdb::NmrOneD 161052 Specdb::NmrOneD 161053 Specdb::NmrOneD 161054 Specdb::NmrOneD 161055 Specdb::NmrOneD 161056 Specdb::NmrOneD 161057 Specdb::NmrOneD 161058 Specdb::NmrOneD 161059 Specdb::NmrOneD 161060 Specdb::NmrOneD 161061 Specdb::NmrOneD 161062 Specdb::NmrOneD 161063 Specdb::NmrOneD 161064 Specdb::NmrOneD 161065 Specdb::NmrOneD 161066 Specdb::NmrOneD 161067 Specdb::NmrOneD 161068 Specdb::MsMs 300556 Specdb::MsMs 300557 Specdb::MsMs 300558 Specdb::MsMs 342841 Specdb::MsMs 342842 Specdb::MsMs 342843 Specdb::MsMs 2845514 Specdb::MsMs 2845515 Specdb::MsMs 2845516 Specdb::MsMs 2863020 Specdb::MsMs 2863021 Specdb::MsMs 2863022 HMDB30278 #<Reference:0x000055ce31693f48> #<Reference:0x000055ce31693d68> Garden tomato Type 1 specific Solanum lycopersicum 4081