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1-O-(13Z-octadecenyl)-2-heneicosanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1046851 Image of MNXM1046851
referenceslm:000739240
formulaC62H121NO8P
global charge-1
mol weight1039.623
InChIKeyMBGIWGBDXGQWPF-XZPYKGSRSA-M
InChIInChI=1S/C62H122NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-62(65)71-60(58-68-56-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-70-72(66,67)69-57-55-63-61(64)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h14,17,60H,4-13,15-16,18-59H2,1-3H3,(H,63,64)(H,66,67)/p-1/b17-14-/t60-/m1/s1
SMILESCCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C62H122NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-62(65)71-60(58-68-56-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)59-70-72(66,67)69-57-55-63-61(64)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h14,17,60H,4-13,15-16,18-59H2,1-3H3,(H,63,64)(H,66,67)/b17-14-/t60-/m1/s1 Image of MNXM1046851
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:65])[O:71][C@H:60]([CH2:58][O:68][CH2:56][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:29][CH2:26][CH2:23][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])[CH2:59][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:57][CH2:55][N:63]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:64]
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:000739240
slm:000739240
MBGIWGBDXGQWPF-XZPYKGSRSA-M
1-O-(13Z-octadecenyl)-2-heneicosanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-(13Z-octadecenyl)-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(13Z)/21:0/18:0)