CAS 116928-84-8 | Coenzyme A, S-(hydrogen propanedioate), tetralithium salt (9CI) | CAS Number 116928-84-8

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116928-84-8 | Coenzyme A, S-(hydrogen propanedioate), tetralithium salt (9CI)

CAS No: 116928-84-8 Catalog No: AG000DDB MDL No:

Product Description

Catalog Number:

AG000DDB

Chemical Name:

Coenzyme A, S-(hydrogen propanedioate), tetralithium salt (9CI)

CAS Number:

116928-84-8

Molecular Formula:

C24H34Li4N7O19P3S

Molecular Weight:

877.3125

IUPAC Name:

tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(2-carboxyacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

InChI:

InChI=1S/C24H38N7O19P3S.4Li/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31;;;;/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41);;;;/q;4*+1/p-4/t12-,17-,18-,19+,23-;;;;/m1..../s1

InChI Key:

DQLXXYMNINXQSV-QTRRCMKVSA-J

SMILES:

O=C(NCCSC(=O)CC(=O)O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)([O-])[O-])O)n1cnc2c1ncnc2N)[O-])[O-])(C)C)O.[Li+].[Li+].[Li+].[Li+]