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CHEBI:219479 - Mccrearamycin C

ChEBI IDCHEBI:219479
ChEBI NameMccrearamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48N2O14
Net Charge0
Average Mass684.736
Monoisotopic Mass684.31055
SMILESCOC(=O)[C@@]1(O)C(OC)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](/C=C\C=C(/C)C(=O)O)OC)C(=O)[C@H]1NC(=O)CO
InChIInChI=1S/C32H48N2O14/c1-16(12-20-25(38)27(34-23(36)15-35)32(43,28(20)46-7)30(41)47-8)13-22(45-6)24(37)18(3)14-19(4)26(48-31(33)42)21(44-5)11-9-10-17(2)29(39)40/h9-11,14,16,18,21-22,24,26-27,35,37,43H,12-13,15H2,1-8H3,(H2,33,42)(H,34,36)(H,39,40)/b11-9-,17-10+,19-14+/t16-,18+,21+,22+,24-,26+,27-,32+/m1/s1
InChIKeyONGMXTCWGTZEPB-HXPZDMCISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mccrearamycin C (CHEBI:219479) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4Z,6S,7S,8E,10S,11R,12S,14R)-7-carbamoyloxy-11-hydroxy-15-[(3S,4S)-3-hydroxy-4-[(2-hydroxyacetyl)amino]-2-methoxy-3-methoxycarbonyl-5-oxocyclopenten-1-yl]-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoic acid
Manual XrefsDatabases
78440636ChemSpider