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CHEBI:220642 - MC-VF

ChEBI IDCHEBI:220642
ChEBI NameMC-VF
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H69N7O12
Net Charge0
Average Mass972.150
Monoisotopic Mass971.50042
SMILESC=C1C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C
InChIInChI=1S/C51H69N7O12/c1-28(2)42-49(65)57-43(51(68)69)32(6)45(61)55-39(26-35-17-13-11-14-18-35)48(64)53-37(22-21-29(3)25-30(4)40(70-10)27-36-19-15-12-16-20-36)31(5)44(60)54-38(50(66)67)23-24-41(59)58(9)34(8)47(63)52-33(7)46(62)56-42/h11-22,25,28,30-33,37-40,42-43H,8,23-24,26-27H2,1-7,9-10H3,(H,52,63)(H,53,64)(H,54,60)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)/b22-21+,29-25+/t30-,31-,32-,33+,37-,38+,39-,40-,42-,43+/m0/s1
InChIKeyPBXDBYLJLRGSMP-LKCZJABDSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (8556152)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
MC-VF (CHEBI:220642) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-15-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-8-propan-2-yl-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid