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CHEBI:220767 - [D-Asp3]MC-VA

ChEBI IDCHEBI:220767
ChEBI Name[D-Asp3]MC-VA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H63N7O12
Net Charge0
Average Mass882.025
Monoisotopic Mass881.45347
SMILESC=C1C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C)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/C44H63N7O12/c1-23(2)37-42(58)49-33(44(61)62)22-35(52)45-27(6)39(55)47-31(17-16-24(3)20-25(4)34(63-10)21-30-14-12-11-13-15-30)26(5)38(54)48-32(43(59)60)18-19-36(53)51(9)29(8)41(57)46-28(7)40(56)50-37/h11-17,20,23,25-28,31-34,37H,8,18-19,21-22H2,1-7,9-10H3,(H,45,52)(H,46,57)(H,47,55)(H,48,54)(H,49,58)(H,50,56)(H,59,60)(H,61,62)/b17-16+,24-20+/t25-,26-,27-,28+,31-,32+,33+,34-,37-/m0/s1
InChIKeyRBZCKDFHDZZPOQ-FTJZKGJUSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - PubMed (17908306)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[D-Asp3]MC-VA (CHEBI:220767) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,15,19-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