CAS 188174-63-2 | Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate, lithium salt (9CI) | CAS Number 188174-63-2

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188174-63-2 | Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate, lithium salt (9CI)

CAS No: 188174-63-2 Catalog No: AG002GQR MDL No:

Product Description

Catalog Number:

AG002GQR

Chemical Name:

Coenzyme A, S-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate, lithium salt (9CI)

CAS Number:

188174-63-2

Molecular Formula:

C41H65LiN7O17P3S

Molecular Weight:

1059.9188

IUPAC Name:

lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

InChI:

InChI=1S/C41H66N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48;/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56);/q;+1/p-1/b9-8+,12-11+,15-14+,18-17+;/t30-,34-,35-,36+,40-;/m1./s1

InChI Key:

PFJKRDANWCBXHE-VKSULDSYSA-M

SMILES:

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)SCCNC(=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+]