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1-O-(13-methyltetradecyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1028735 Image of MNXM1028735
referenceslm:000721124
formulaC60H113NO8P
global charge-1
mol weight1007.537
InChIKeyAGMDXTABUGXXFF-MKUFYMAISA-M
InChIInChI=1S/C60H114NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-35-39-43-47-51-60(63)69-58(55-66-53-48-44-40-36-32-31-33-37-41-45-49-57(3)4)56-68-70(64,65)67-54-52-61-59(62)50-46-42-38-34-29-27-25-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,57-58H,5-12,14,16-18,20,22,25-56H2,1-4H3,(H,61,62)(H,64,65)/p-1/b15-13-,21-19-,24-23-/t58-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H114NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-35-39-43-47-51-60(63)69-58(55-66-53-48-44-40-36-32-31-33-37-41-45-49-57(3)4)56-68-70(64,65)67-54-52-61-59(62)50-46-42-38-34-29-27-25-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,57-58H,5-12,14,16-18,20,22,25-56H2,1-4H3,(H,61,62)(H,64,65)/b15-13-,21-19-,24-23-/t58-/m1/s1 Image of MNXM1028735
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][C:60](=[O:63])[O:69][C@H:58]([CH2:55][O:66][CH2:53][CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:31][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH:57]([CH3:3])[CH3:4])[CH2:56][O:68][P:70]([OH:64])(=[O:65])[O:67][CH2:54][CH2:52][N:61]=[C:59]([CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:29][CH2:27][CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:62]
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:000721124
slm:000721124
AGMDXTABUGXXFF-MKUFYMAISA-M
1-O-(13-methyltetradecyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-(13-methyltetradecyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-15:0(13-me)/22:3(10Z,13Z,16Z)/18:0)