2'-(5''-triphospho-α-D-ribosyl)-3'-dephospho-CoA
Chemical Formula:
C26H41N7O26P5S
Molecular Weight:
1054.57 Daltons
Monoisotopic Mass:
1059.0901279276 Daltons
SMILES:
CC(C)(COP([O-])(=O)OP([O-])(=O)OCC2(C(O)C(OC1(C(O)C(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)O1))C(O2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(=O)NCCC(=O)NCCS
InChI:
1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/p-5/t12-,13-,16-,17-,18-,19-,20+,24-,25-/m1/s1
InChIKey:
Synonyms
- 2-5-triphosphoribosyl-3-dephospho-CoA
- 2'-(5-triphosphoribosyl)-3'-dephospho-CoA
Databases
MetaCyc:
2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-
BiGG:
2tpr3dpcoa
PubChem (CID):
90658187
ChEBI:
61378
Seed:
cpd15364
MetaNetX:
MNXM2769
KEGG:
C19771