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CHEBI:47398 - ENACYLOXIN IIA

Default Structure
ChEBI IDCHEBI:47398
ChEBI NameENACYLOXIN IIA
Stars
DownloadsMolfile
FormulaC33H45Cl2NO11
Net Charge0
Average Mass702.625
Monoisotopic Mass701.23697
SMILES[H]OC(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(OC(=O)/C([H])=C([H])/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C([H])=C(\Cl)[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])C(=O)C([H])([H])[C@@]([H])(O[H])[C@]([H])(Cl)[C@]([H])(OC(=O)N([H])[H])/C([H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1
InChIKeyIWBADCVFZDCUTN-OCXJTLLTSA-N
ChEBI Ontology
Outgoing Relation(s)
ENACYLOXIN IIA (CHEBI:47398) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy}-4-hydroxycyclohexanecarboxylic acidPDBeChem
ENACYLOXIN IIAPDBeChem
Manual XrefsDatabases
ENXPDBeChem