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CHEBI:213104 - Syringostatin B

ChEBI IDCHEBI:213104
ChEBI NameSyringostatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H87ClN12O19
Net Charge0
Average Mass1195.764
Monoisotopic Mass1194.58990
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)C(O)CCCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C50H87ClN12O19/c1-4-6-7-8-9-10-11-12-15-33(66)34(67)23-36(69)55-32-25-82-50(81)38(35(68)24-51)62-48(78)39(40(70)49(79)80)63-41(71)27(5-2)56-47(77)37(26(3)65)61-45(75)28(14-13-19-52)57-44(74)31(18-22-64)60-43(73)29(16-20-53)58-42(72)30(17-21-54)59-46(32)76/h5,26,28-35,37-40,64-68,70H,4,6-25,52-54H2,1-3H3,(H,55,69)(H,56,77)(H,57,74)(H,58,72)(H,59,76)(H,60,73)(H,61,75)(H,62,78)(H,63,71)(H,79,80)/b27-5-
InChIKeyFXAAMFXCTWRSIJ-HCEIJDMSSA-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 B (CHEBI:213104) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxytetradecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-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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78444159ChemSpider