Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM1032676 Image of MNXM1032676
referenceslm:000725065
formulaC58H113NO8P
global charge-1
mol weight983.515
InChIKeyANJBJMANKILYGC-WFMDLDEWSA-M
InChIInChI=1S/C58H114NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46-51-64-53-56(67-58(61)49-45-41-37-33-29-26-27-31-35-39-43-47-55(3)4)54-66-68(62,63)65-52-50-59-57(60)48-44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-2/h20,22,55-56H,5-19,21,23-54H2,1-4H3,(H,59,60)(H,62,63)/p-1/b22-20-/t56-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C58H114NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46-51-64-53-56(67-58(61)49-45-41-37-33-29-26-27-31-35-39-43-47-55(3)4)54-66-68(62,63)65-52-50-59-57(60)48-44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-2/h20,22,55-56H,5-19,21,23-54H2,1-4H3,(H,59,60)(H,62,63)/b22-20-/t56-/m1/s1 Image of MNXM1032676
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:51][O:64][CH2:53][C@H:56]([CH2:54][O:66][P:68]([OH:62])(=[O:63])[O:65][CH2:52][CH2:50][N:59]=[C:57]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:60])[O:67][C:58]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:26][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH:55]([CH3:3])[CH3:4])=[O:61]
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:000725065
slm:000725065
ANJBJMANKILYGC-WFMDLDEWSA-M
1-O-octadecyl-2-(15-methylhexadecanoyl)-sn-glycero-3-phospho-N-(9Z-octadecenoyl)-ethanolamine
N-(9Z-octadecenoyl)-1-O-octadecyl-2-(15-methylhexadecanoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:0/17:0-15me/18:1(9Z))