3-hydroxyadipyl-CoA
chemical compound
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3-hydroxyadipyl-CoA
Summary
3-hydroxyadipyl-CoA is a group of stereoisomers[1].
Key Facts
- 3-hydroxyadipyl-CoA's instance of is recorded as group of stereoisomers[2].
- 3-hydroxyadipyl-CoA's canonical SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(CCC(=O)O)O)O[3].
- 3-hydroxyadipyl-CoA's InChI is recorded as InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14?,15-,20-,21-,22+,26-/m1/s1[4].
- 3-hydroxyadipyl-CoA's InChIKey is recorded as OTEACGAEDCIMBS-FOLKQPSDSA-N[5].
- 3-hydroxyadipyl-CoA's chemical formula is recorded as C₂₇H₄₄N₇O₂₀P₃S[6].
- 3-hydroxyadipyl-CoA's subclass of is recorded as fatty acyl-CoA[7].
- 3-hydroxyadipyl-CoA's ChemSpider ID is recorded as 7822310[8].
- 3-hydroxyadipyl-CoA's PubChem CID is recorded as 9543337[9].
- 3-hydroxyadipyl-CoA's ChEBI ID is recorded as 71038[10].
- 3-hydroxyadipyl-CoA's isomeric SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1C@HOP(=O)(O)O)C@HOC@HOP(=O)(O)O)C@HO">[11].
- 3-hydroxyadipyl-CoA's Human Metabolome Database ID is recorded as HMDB0062352[12].
- 3-hydroxyadipyl-CoA's LIPID MAPS ID is recorded as LMFA07050211[13].
- 3-hydroxyadipyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+911.157468'}[14].
- 3-hydroxyadipyl-CoA's SureChEMBL ID is recorded as 217525[15].
- 3-hydroxyadipyl-CoA's DSSTox substance ID is recorded as DTXSID701343646[16].
- 3-hydroxyadipyl-CoA's UniChem compound ID is recorded as 27266070[17].