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(3R)-hydroxydocosanoyl-CoA

MNXM162568 is deprecated and here replaced by MNXM1102090
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1102090

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	10

formula

C₄₃H₇₄N₇O₁₈P₃S

charge

-4

mass

1101.40458

reference

chebi:76375

InChIKey

VNJQSRVXTRJVAZ-ZUIQSSPPSA-J

InChI

InChI=1S/C43H78N7O18P3S/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/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t31-,32-,36-,37-,38+,42-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCC[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
CHEBI:76375 chebi:76375	(3R)-hydroxydocosanoyl-CoA (R)-3-OH-C22:0-CoA(4-) (R)-3-hydroxybehenoyl-CoA(4-) (R)-3-hydroxybehenoyl-coenzyme A(4-) (R)-3-hydroxydocosanoyl-CoA(4-) (R)-3-hydroxydocosanoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydocosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd24267 seedM:cpd24267	(3R)-3-hydroxy-behenoyl-CoA (3R)-3-hydroxy-docosanoyl-CoA
metacyc.compound:CPD-14276 metacycM:CPD-14276	(3R)-3-hydroxybehenoyl-CoA (3R)-3-hydroxydocosanoyl-CoA
SLM:000389402 slm:000389402	(3R)-hydroxydocosanoyl-CoA
CHEBI:76459 chebi:76459	(R)-3-hydroxybehenoyl-CoA (R)-3-hydroxybehenoyl-coenzyme A (R)-3-hydroxydocosanoyl-CoA (R)-3-hydroxydocosanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydocosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
hmdb:HMDB0060216	3-Hydroxydocosanoyl-CoA (R)-3-Hydroxybehenoyl-coenzyme A (R)-3-Hydroxydocosanoyl-CoA (R)-3-Hydroxydocosanoyl-coenzyme A [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxydocosanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxydocosanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
bigg.metabolite:M00860 biggM:M00860	3-Oxodocasa-Cis,Cis-13,16-Dienoyl Coenzyme A
bigg.metabolite:CE2246 biggM:CE2246	3-hydroxydocosanoyl-CoA (4-)
CHEBI:52325 chebi:52325	3-hydroxydocosanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxydocosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-hydroxy-C22-CoA 3-hydroxydocosanoyl-coenzyme A
CHEBI:71456 chebi:71456	3-hydroxydocosanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxydocosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} 3-hydroxydocosanoyl-CoA(4-) 3-hydroxydocosanoyl-coenzyme A(4-)
lipidmaps:LMFA07050215 lipidmapsM:LMFA07050215	3-hydroxydocosanoyl-CoA 3-hydroxy-C22-CoA 3-hydroxydocosanoyl-CoA 3-hydroxydocosanoyl-coenzyme A CoA 22:0 O
hmdb:HMDB60216 biggM:M_CE2246 biggM:M_M00860 seedM:M_cpd24267	secondary/obsolete/fantasy identifier