Crotonyl Coenzyme A free acid
CAS number: 38795-21-0
Identifiers
CAS Index Name:
Coenzyme A, S-2-butenoate,
Molecular formula:
C25H40N7O17P3S
Molecular weight:
835.61
Lipid number:
C4:1 CoA
Smiles:
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)C=CC
Isomeric Smiles:
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(/C=C/C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
InChI:
InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
InChIKey:
InChIKey=KFWWCMJSYSSPSK-PAXLJYGASA-N
Product information
Purity:
>95%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
Ask for MSDS
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