DOCOSAHEXAENOYL COENZYME A

CAS No.
112567-94-9
CCD No.
CCD00331560
Formula
C43 H66 N7 O17 P3 S
MolWeight
1078.01

Basic Information

Product Name: DOCOSAHEXAENOYL COENZYME A
CAS: 112567-94-9
English Synonyms: DOCOSAHEXAENOYL COENZYME A
MDL Number.: MFCD02683600
H bond acceptor: 24
H bond donor: 9
Smile: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
InChi: InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5+,9-8+,12-11+,15-14+,18-17+,21-20+/t32-,36-,37-,38+,42-/m1/s1
InChiKey: InChIKey=MENFZXMQSYYVRK-KQBZDQGWSA-N

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