IdentifiersCAS 85-61-0
Identifiers
- CAS
- 85-61-0
- Formula
- C₂₁H₃₆N₇O₁₆P₃S
- InChIKey
- RGJOEKWQDUBAIZ-IBOSZNHHSA-N
- InChI
- InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
- SMILES
- 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)NCCS)O
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O - PubChem CID
- 87642
- ChemSpider
- 79067
- EC number
- 201-619-0
- ChEBI
- 15346
- ChEMBL
- CHEMBL1213327
- KEGG
- C00010
- Wikidata
- Q407635
Synonyms (5)
CoA · CoA-SH · CoASH · HS-CoA · HSCoA
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