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CHEBI:233750 - 3-methyladipic acid coa

Default Structure
ChEBI IDCHEBI:233750
ChEBI Name3-methyladipic acid coa
Stars
SubmitterJoanne
DownloadsMolfile
FormulaC28H41N7O19P3S
Net Charge-5
Average Mass904.655
Monoisotopic Mass904.14182
SMILESCC(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1OP(=O)([O-])[O-])CC(=O)[O-]
InChIInChI=1S/C28H46N7O19P3S/c1-15(10-18(37)38)4-5-19(39)58-9-8-30-17(36)6-7-31-26(42)23(41)28(2,3)12-51-57(48,49)54-56(46,47)50-11-16-22(53-55(43,44)45)21(40)27(52-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,40-41H,4-12H2,1-3H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t15?,16-,21+,22-,23+,27+/m1/s1
InChIKeyLNMGOBAFOUFKFK-AQWVWMLWSA-I
ChEBI Ontology
Outgoing Relation(s)
3-methyladipic acid coa (CHEBI:233750) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
6-[(2-{3-[(2R)-3-[({[({[(2R,3S,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-methyl-6-oxohexanoic acid
Citations