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CHEBI:203061 - Syringomycin A1

ChEBI IDCHEBI:203061
ChEBI NameSyringomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H81ClN14O17
Net Charge0
Average Mass1197.743
Monoisotopic Mass1196.55926
SMILESC/C=C1\NC(=O)C(Cc2ccccc2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CO)NC(=O)C(NC(=O)CC(O)CCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
InChIInChI=1S/C51H81ClN14O17/c1-3-5-6-7-11-15-28(68)23-37(70)58-35-26-83-50(82)38(36(69)24-52)65-48(79)39(40(71)49(80)81)66-41(72)29(4-2)59-45(76)33(22-27-13-9-8-10-14-27)63-42(73)30(16-12-21-57-51(55)56)60-43(74)31(17-19-53)61-44(75)32(18-20-54)62-46(77)34(25-67)64-47(35)78/h4,8-10,13-14,28,30-36,38-40,67-69,71H,3,5-7,11-12,15-26,53-54H2,1-2H3,(H,58,70)(H,59,76)(H,60,74)(H,61,75)(H,62,77)(H,63,73)(H,64,78)(H,65,79)(H,66,72)(H,80,81)(H4,55,56,57)/b29-4-
InChIKeyVFXHWENMNWQOTJ-SJVJIWFDSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas syringae (ncbitaxon:317) - DOI (10.1016/0885-5765(88)90014-8)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Syringomycin A1 (CHEBI:203061) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(9Z)-18,21-bis(2-aminoethyl)-12-benzyl-3-(2-chloro-1-hydroxyethyl)-15-[3-(diaminomethylideneamino)propyl]-9-ethylidene-27-(3-hydroxydecanoylamino)-24-(hydroxymethyl)-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
Manual XrefsDatabases
78444517ChemSpider