Feedback

Cis,cis,cis-10,13,16-docosatrienoyl-CoA

MNXM153498 is deprecated and here replaced by MNXM1102010
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1102010

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	6

formula

C₄₃H₆₈N₇O₁₇P₃S

charge

-4

mass

1079.36272

reference

biggM:CE4847

InChIKey

NRFSUEZXHDEQRO-YYOOZTOSSA-J

InChI

InChI=1S/C43H72N7O17P3S/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/h8-9,11-12,14-15,30-32,36-38,42,53-54H,4-7,10,13,16-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1

SMILES

CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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:CE4847 biggM:CE4847	Cis,cis,cis-10,13,16-docosatrienoyl-CoA
hmdb:HMDB0060213	cis,cis,cis-10,13,16-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)-N-[2-({2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-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]-N-[2-({2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-2-hydroxy-3,3-dimethylbutanimidic acid
hmdb:HMDB60213 biggM:M_CE4847	secondary/obsolete/fantasy identifier