Search MNXref
 Feedback

1-O-hexadecyl-2-propionyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1029309 Image of MNXM1029309
referenceslm:000721698
formulaC42H83NO8P
global charge-1
mol weight761.099
InChIKeyOVVSVVYFJIGCJJ-RRHRGVEJSA-M
InChIInChI=1S/C42H84NO8P/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(44)43-35-37-49-52(46,47)50-39-40(51-42(45)6-3)38-48-36-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h40H,4-39H2,1-3H3,(H,43,44)(H,46,47)/p-1/t40-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCC)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C42H84NO8P/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(44)43-35-37-49-52(46,47)50-39-40(51-42(45)6-3)38-48-36-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h40H,4-39H2,1-3H3,(H,43,44)(H,46,47)/t40-/m1/s1 Image of MNXM1029309
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:41](=[N:43][CH2:35][CH2:37][O:49][P:52]([OH:46])(=[O:47])[O:50][CH2:39][C@@H:40]([CH2:38][O:48][CH2:36][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])[O:51][C:42]([CH2:6][CH3:3])=[O:45])[OH:44]
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:000721698
slm:000721698
OVVSVVYFJIGCJJ-RRHRGVEJSA-M
1-O-hexadecyl-2-propionyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-hexadecyl-2-propionyl-sn-glycero-3-phosphoethanolamine
NAPE (O-16:0/3:0/18:0)