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3-hydroxydocosanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1364494Image of MNXM1364494
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 8
formulaC43H74N7O18P3S
charge-4
mass1102.075
referencechebi:71456
InChIKeyVNJQSRVXTRJVAZ-NGZXMKLGSA-J
InChIInChI=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[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH:31]([CH2:26][C:34](=[O:53])[S:72][CH2:25][CH2:24][N:45]=[C:33]([CH2:22][CH2:23][N:46]=[C:41]([C@@H:38]([C:43]([CH3:2])([CH3:3])[CH2:28][O:65][P:71]([OH:62])(=[O:63])[O:68][P:70]([OH:60])(=[O:61])[O:64][CH2:27][C@@H:32]1[C@@H:37]([O:67][P:69]([OH:57])([OH:58])=[O:59])[C@@H:36]([OH:54])[C@H:42]([n:50]2[cH:30][n:49][c:35]3[c:39]([NH2:44])[n:47][cH:29][n:48][c:40]32)[O:66]1)[OH:55])[OH:56])[OH:52])[OH:51]
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Similar chemical compounds in external resources
IdentifierDescription
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-)
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
lipidmaps:LMFA07050215
lipidmapsM:LMFA07050215 		3-hydroxydocosanoyl-CoA
3-hydroxy-C22-CoA
3-hydroxydocosanoyl-CoA
3-hydroxydocosanoyl-coenzyme A
CoA 22:0
O
vmhM:CE2246
vmhmetabolite:CE2246 		3-hydroxydocosanoyl-CoA
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
biggM:M_CE2246
biggM:M_M00860 		secondary/obsolete/fantasy identifier