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1-O-(15-methylhexadecyl)-2-octadecanoyl-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1030603 Image of MNXM1030603
referenceslm:000722992
formulaC58H113NO8P
global charge-1
mol weight983.515
InChIKeyPJRDUPAJYSPINP-TZWKTHDXSA-M
InChIInChI=1S/C58H114NO8P/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/h15,17,55-56H,5-14,16,18-54H2,1-4H3,(H,59,60)(H,62,63)/p-1/b17-15-/t56-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H114NO8P/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/h15,17,55-56H,5-14,16,18-54H2,1-4H3,(H,59,60)(H,62,63)/b17-15-/t56-/m1/s1 Image of MNXM1030603
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]\[CH2:19][CH2:21][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][CH2:51][CH2:46][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][CH2:22][CH2:20][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:000722992
slm:000722992
PJRDUPAJYSPINP-TZWKTHDXSA-M
1-O-(15-methylhexadecyl)-2-octadecanoyl-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine
N-(11Z-octadecenoyl)-1-O-(15-methylhexadecyl)-2-octadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-17:0(15-me)/18:0/18:1(11Z))