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CHEBI:233742 - 3,7-dimethyldecanedioic acid coa

Default Structure
ChEBI IDCHEBI:233742
ChEBI Name3,7-dimethyldecanedioic acid coa
Stars
SubmitterJoanne
DownloadsMolfile
FormulaC33H51N7O19P3S
Net Charge-5
Average Mass974.790
Monoisotopic Mass974.22007
SMILESCC(CCCC(C)CC(=O)[O-])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-]
InChIInChI=1S/C33H56N7O19P3S/c1-19(6-5-7-20(2)14-23(42)43)8-9-24(44)63-13-12-35-22(41)10-11-36-31(47)28(46)33(3,4)16-56-62(53,54)59-61(51,52)55-15-21-27(58-60(48,49)50)26(45)32(57-21)40-18-39-25-29(34)37-17-38-30(25)40/h17-21,26-28,32,45-46H,5-16H2,1-4H3,(H,35,41)(H,36,47)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-5/t19?,20?,21-,26+,27-,28+,32-/m1/s1
InChIKeyWEYVHOHKHLLBPB-NTEGSDMUSA-I
ChEBI Ontology
Outgoing Relation(s)
3,7-dimethyldecanedioic acid coa (CHEBI:233742) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
10-[(2-{3-[(2R)-3-[({[({[(2R,3S,4S,5R)-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]-3,7-dimethyl-10-oxodecanoic acid
Citations