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1-O-(1Z,15-methylhexadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1010207 Image of MNXM1010207
referenceslm:000702595
formulaC58H109NO8P
global charge-1
mol weight979.483
InChIKeyAWPKIQVGNGPITK-CSVGOINGSA-M
InChIInChI=1S/C58H110NO8P/c1-5-7-9-11-13-15-17-19-21-23-28-32-36-40-44-48-57(60)59-50-52-65-68(62,63)66-54-56(53-64-51-46-42-38-34-30-26-25-27-31-35-39-43-47-55(3)4)67-58(61)49-45-41-37-33-29-24-22-20-18-16-14-12-10-8-6-2/h19-22,46,51,55-56H,5-18,23-45,47-50,52-54H2,1-4H3,(H,59,60)(H,62,63)/p-1/b21-19-,22-20-,51-46-/t56-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](CO/C=C\CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H110NO8P/c1-5-7-9-11-13-15-17-19-21-23-28-32-36-40-44-48-57(60)59-50-52-65-68(62,63)66-54-56(53-64-51-46-42-38-34-30-26-25-27-31-35-39-43-47-55(3)4)67-58(61)49-45-41-37-33-29-24-22-20-18-16-14-12-10-8-6-2/h19-22,46,51,55-56H,5-18,23-45,47-50,52-54H2,1-4H3,(H,59,60)(H,62,63)/b21-19-,22-20-,51-46-/t56-/m1/s1 Image of MNXM1010207
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][C:57](=[N:59][CH2:50][CH2:52][O:65][P:68]([OH:62])(=[O:63])[O:66][CH2:54][C@@H:56]([CH2:53][O:64]/[CH:51]=[CH:46]\[CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:25][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH:55]([CH3:3])[CH3:4])[O:67][C:58]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61])[OH:60]
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:000702595
slm:000702595
AWPKIQVGNGPITK-CSVGOINGSA-M
1-O-(1Z,15-methylhexadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-(1Z,15-methylhexadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-17:0(15-me)/18:1(9Z)/18:1(9Z))