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Substance Name: Systemin
RN: 137181-56-7
UNII: 360F030D37
InChIKey: LWKMQFABIRSLII-MGZLOUMQSA-N

Note

  • A mobile 18 amino acid polypeptide, induces proteinase inhibitor synthesis; from Lycopersicon esculentum (tomato).

Molecular Formula

  • C85-H144-N26-O28-S

Molecular Weight

  • 2010.2926
 
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Names and Synonyms

Name of Substance

  • Systemin

Synonyms

  • L-Alanyl-L-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-arginyl-L-alpha-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-threonyl-L-aspartic acid
  • UNII-360F030D37

Systematic Name

  • L-Aspartic acid, L-alanyl-L-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-arginyl-L-alpha-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-threonyl-

Registry Numbers

CAS Registry Number

  • 137181-56-7

FDA UNII

  • 360F030D37

System Generated Number

  • 0137181567

Structure Descriptors

InChI

1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)78(132)100-49(25-27-61(90)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)80(134)110-36-15-23-59(110)82(136)109-35-14-22-58(109)77(131)105-56(42-113)74(128)96-46(17-6-9-30-86)68(122)95-48(20-12-33-94-85(92)93)70(124)102-53(39-63(117)118)81(135)111-37-16-24-60(111)83(137)108-34-13-21-57(108)76(130)99-47(18-7-10-31-87)69(123)98-51(29-38-140-5)72(126)97-50(26-28-62(91)116)73(127)107-66(45(4)114)79(133)103-54(84(138)139)40-64(119)120/h43-60,65-66,112-114H,6-42,86-89H2,1-5H3,(H2,90,115)(H2,91,116)(H,95,122)(H,96,128)(H,97,126)(H,98,123)(H,99,130)(H,100,132)(H,101,129)(H,102,124)(H,103,133)(H,104,125)(H,105,131)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H,138,139)(H4,92,93,94)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1

InChIKey

LWKMQFABIRSLII-MGZLOUMQSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O