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1-O-octacosyl-2-hexadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1037640 Image of MNXM1037640
referenceslm:000730029
formulaC67H127NO8P
global charge-1
mol weight1105.726
InChIKeyAYKQEUOHFZKFEG-XBOLKTAESA-M
InChIInChI=1S/C67H128NO8P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-39-42-45-48-51-54-57-61-73-63-65(76-67(70)59-56-53-50-47-44-40-24-21-18-15-12-9-6-3)64-75-77(71,72)74-62-60-68-66(69)58-55-52-49-46-43-41-38-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,38,65H,4-7,9-10,12-16,18-19,21-25,27-37,39-64H2,1-3H3,(H,68,69)(H,71,72)/p-1/b11-8-,20-17-,38-26-/t65-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C67H128NO8P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-39-42-45-48-51-54-57-61-73-63-65(76-67(70)59-56-53-50-47-44-40-24-21-18-15-12-9-6-3)64-75-77(71,72)74-62-60-68-66(69)58-55-52-49-46-43-41-38-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,38,65H,4-7,9-10,12-16,18-19,21-25,27-37,39-64H2,1-3H3,(H,68,69)(H,71,72)/b11-8-,20-17-,38-26-/t65-/m1/s1 Image of MNXM1037640
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:61][O:73][CH2:63][C@H:65]([CH2:64][O:75][P:77]([OH:71])(=[O:72])[O:74][CH2:62][CH2:60][N:68]=[C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:41]/[CH:38]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:69])[O:76][C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:40][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70]
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:000730029
slm:000730029
AYKQEUOHFZKFEG-XBOLKTAESA-M
1-O-octacosyl-2-hexadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-O-octacosyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-28:0/16:0/18:3(9Z,12Z,15Z))