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3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA

MNXM150755 is deprecated and here replaced by MNXM1101987
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101987

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₄₃H₆₈N₇O₁₈P₃S

charge

-4

mass

1095.35763

reference

biggM:CE4844

InChIKey

SHYOGNDOVWXSLL-HYIOPBCUSA-J

InChI

InChI=1S/C43H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-32,36-38,42,51,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-/t31-,32-,36+,37+,38-,42-/m0/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\CCCCCC[C@H](O)CC(=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
bigg.metabolite:CE4844 biggM:CE4844	3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA
hmdb:HMDB0060214	3(S)-Hydroxy-10,13,16-all-cis-docosatrienoyl-CoA (2R)-4-({[({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-{2-[(2-{[(3S,10Z,13Z,16Z)-3-hydroxydocosa-10,13,16-trienoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid (2R)-4-[({[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-N-{2-[(2-{[(3S,10Z,13Z,16Z)-3-hydroxydocosa-10,13,16-trienoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid
hmdb:HMDB60214 biggM:M_CE4844	secondary/obsolete/fantasy identifier