Search MNXref
 Feedback

1-O-octadecyl-2-acetyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1031646 Image of MNXM1031646
referenceslm:000724035
formulaC41H81NO8P
global charge-1
mol weight747.072
InChIKeyKWHUXRRCFHJGKR-RRHRGVEJSA-M
InChIInChI=1S/C41H82NO8P/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-35-47-37-40(50-39(3)43)38-49-51(45,46)48-36-34-42-41(44)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2/h40H,4-38H2,1-3H3,(H,42,44)(H,45,46)/p-1/t40-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C41H82NO8P/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-35-47-37-40(50-39(3)43)38-49-51(45,46)48-36-34-42-41(44)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2/h40H,4-38H2,1-3H3,(H,42,44)(H,45,46)/t40-/m1/s1 Image of MNXM1031646
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][O:47][CH2:37][C@H:40]([CH2:38][O:49][P:51]([OH:45])(=[O:46])[O:48][CH2:36][CH2:34][N:42]=[C:41]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:44])[O:50][C:39]([CH3:3])=[O:43]
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:000724035
slm:000724035
KWHUXRRCFHJGKR-RRHRGVEJSA-M
1-O-octadecyl-2-acetyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-octadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine
NAPE (O-18:0/2:0/16:0)