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pristanoyl-CoA

MNXM4346 is deprecated and here replaced by MNXM1103831
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103831

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	13

formula

C₄₀H₆₈N₇O₁₇P₃S

charge

-4

mass

1043.36272

reference

chebi:77250

InChIKey

XYJPSQPVCBNZHT-TUKYSRJDSA-J

InChI

InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26?,27?,28?,29-,32-,33-,34+,38-/m1/s1

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77250 chebi:77250	pristanoyl-CoA pristanoyl-CoA(4-) pristanoyl-coenzyme A(4-)
seed.compound:cpd33391 seedM:cpd33391	2,6,10,14-tetramethylpentadecanoyl-CoA 2,6,10,14-tetramethylpentadecanoyl-coenzyme A pristanoyl-CoA pristanoyl-coenzyme A
sabiork.compound:27783 sabiorkM:27783	Pristanoyl-CoA
bigg.metabolite:pristcoa biggM:pristcoa	Pristanoyl-CoA 2,6,10,14-tetramethylpentadecanoyl-CoA
reactome:R-ALL-389569 reactomeM:R-ALL-389569 CHEBI:51341 chebi:51341	pristanoyl-CoA 2,6,10,14-tetramethylpentadecanoyl-CoA 2,6,10,14-tetramethylpentadecanoyl-coenzyme A 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(2,6,10,14-tetramethylpentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) pristanoyl-coenzyme A
metacyc.compound:CPD-14675 metacycM:CPD-14675	pristanoyl-CoA 2,6,10,14-tetramethylpentadecanoyl-CoA 2,6,10,14-tetramethylpentadecanoyl-coenzyme A pristanoyl-coenzyme A
biggM:M_pristcoa seedM:M_cpd33391	secondary/obsolete/fantasy identifier