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CHEBI:41368 - CARBOMYCIN A

Default Structure
ChEBI IDCHEBI:41368
ChEBI NameCARBOMYCIN A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC42H67NO16
Net Charge0
Average Mass841.989
Monoisotopic Mass841.44599
SMILES[H]O[C@]1(C([H])([H])[H])C([H])([H])[C@]([H])(O[C@@]2([H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@@]([H])(C([H])([H])C([H])=O)C([H])([H])[C@@]([H])(C([H])([H])[H])C(=O)/C([H])=C(\[H])[C@]4([H])O[C@@]4([H])C([H])([H])[C@@]([H])(C([H])([H])[H])OC(=O)C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]3([H])OC([H])([H])[H])O[C@]2([H])C([H])([H])[H])O[C@@]([H])(C([H])([H])[H])[C@]1([H])OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
InChIKeyFQVHOULQCKDUCY-OGHXVOSASA-N
ChEBI Ontology
Outgoing Relation(s)
CARBOMYCIN A (CHEBI:41368) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name)PDBeChem
CARBOMYCIN APDBeChem
Manual XrefsDatabases
CAIPDBeChem