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1-docosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1047085 Image of MNXM1047085
referenceslm:000739474
formulaC39H77NO8P
global charge-1
mol weight719.018
InChIKeyHUJUKLYPKZFBPA-DIPNUNPCSA-M
InChIInChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-39(43)46-35-37(41)36-48-49(44,45)47-34-33-40-38(42)31-29-27-25-23-12-10-8-6-4-2/h37,41H,3-36H2,1-2H3,(H,40,42)(H,44,45)/p-1/t37-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H78NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-39(43)46-35-37(41)36-48-49(44,45)47-34-33-40-38(42)31-29-27-25-23-12-10-8-6-4-2/h37,41H,3-36H2,1-2H3,(H,40,42)(H,44,45)/t37-/m1/s1 Image of MNXM1047085
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:39](=[O:43])[O:46][CH2:35][C@H:37]([CH2:36][O:48][P:49]([OH:44])(=[O:45])[O:47][CH2:34][CH2:33][N:40]=[C:38]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:42])[OH:41]
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:000739474
slm:000739474
HUJUKLYPKZFBPA-DIPNUNPCSA-M
1-docosanoyl-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-docosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (22:0/0:0/12:0)