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1-(6Z,9Z,12Z-octadecatrienoyl)-2-decanoyl-sn-glycero-3-phospho-N-decanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM955283 Image of MNXM955283
referenceslm:000647668
formulaC43H77NO9P
global charge-1
mol weight783.061
InChIKeyHYODLKPAAOFZLM-PXUWDAEKSA-M
InChIInChI=1S/C43H78NO9P/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-28-31-34-42(46)50-38-40(53-43(47)35-32-29-25-15-12-9-6-3)39-52-54(48,49)51-37-36-44-41(45)33-30-27-24-14-11-8-5-2/h16-17,19-20,22-23,40H,4-15,18,21,24-39H2,1-3H3,(H,44,45)(H,48,49)/p-1/b17-16-,20-19-,23-22-/t40-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H78NO9P/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-28-31-34-42(46)50-38-40(53-43(47)35-32-29-25-15-12-9-6-3)39-52-54(48,49)51-37-36-44-41(45)33-30-27-24-14-11-8-5-2/h16-17,19-20,22-23,40H,4-15,18,21,24-39H2,1-3H3,(H,44,45)(H,48,49)/b17-16-,20-19-,23-22-/t40-/m1/s1 Image of MNXM955283
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:26][CH2:28][CH2:31][CH2:34][C:42](=[O:46])[O:50][CH2:38][C@H:40]([CH2:39][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:37][CH2:36][N:44]=[C:41]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:45])[O:53][C:43]([CH2:35][CH2:32][CH2:29][CH2:25][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000647668
slm:000647668
HYODLKPAAOFZLM-PXUWDAEKSA-M
1-(6Z,9Z,12Z-octadecatrienoyl)-2-decanoyl-sn-glycero-3-phospho-N-decanoyl-ethanolamine
N-decanoyl-1-(6Z,9Z,12Z-octadecatrienoyl)-2-decanoyl-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/10:0/10:0)