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CHEBI:199088 - Syringostatin A

ChEBI IDCHEBI:199088
ChEBI NameSyringostatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H87ClN12O18
Net Charge0
Average Mass1179.765
Monoisotopic Mass1178.59498
SMILESC/C=C1\NC(=O)C(C(C)O)NC(=O)C(CCCN)NC(=O)C(CCO)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(NC(=O)CC(O)CCCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C50H87ClN12O18/c1-4-6-7-8-9-10-11-12-13-15-28(66)24-36(68)55-34-26-81-50(80)38(35(67)25-51)62-48(77)39(40(69)49(78)79)63-41(70)29(5-2)56-47(76)37(27(3)65)61-45(74)30(16-14-20-52)57-44(73)33(19-23-64)60-43(72)31(17-21-53)58-42(71)32(18-22-54)59-46(34)75/h5,27-28,30-35,37-40,64-67,69H,4,6-26,52-54H2,1-3H3,(H,55,68)(H,56,76)(H,57,73)(H,58,71)(H,59,75)(H,60,72)(H,61,74)(H,62,77)(H,63,70)(H,78,79)/b29-5-
InChIKeySOKGGVHELUKAFO-SDYNXESYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas syringae (ncbitaxon:317) - DOI (10.1016/s0040-4039(00)94605-7)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Syringostatin A (CHEBI:199088) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
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