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N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-)

PropertiesImage
MNX_IDMNXM745561 Image of MNXM745561
referencechebi:138663
formulaC57H109NO8P
global charge-1
mol weight967.472
InChIKeyUQKONGBTZFNBQX-SFVTZJANSA-M
InChIInChI=1S/C57H110NO8P/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-51-63-53-55(66-57(60)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)54-65-67(61,62)64-52-50-58-56(59)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h26,28,47,51,55H,4-25,27,29-46,48-50,52-54H2,1-3H3,(H,58,59)(H,61,62)/p-1/b28-26-,51-47-/t55-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H110NO8P/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-51-63-53-55(66-57(60)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)54-65-67(61,62)64-52-50-58-56(59)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h26,28,47,51,55H,4-25,27,29-46,48-50,52-54H2,1-3H3,(H,58,59)(H,61,62)/b28-26-,51-47-/t55-/m1/s1 Image of MNXM745561
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44]/[CH:47]=[CH:51]\[O:63][CH2:53][C@H:55]([CH2:54][O:65][P:67](=[O:61])([OH:62])[O:64][CH2:52][CH2:50][NH:58][C:56]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59])[O:66][C:57]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:28]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138663
chebi:138663
UQKONGBTZFNBQX-SFVTZJANSA-M 		N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-)
1-O-(1Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
1-O-(1Z-octadecenoyl)-2-oleoyl-sn-glycero-3-phospho-(N-palmitoyl)-ethanolamine(1-)
2-(hexadecanoylamino)ethyl (2R)-2-{[(9Z)-octadec-9-enoyl]oxy}-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl phosphate
N-palmitoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine(1-)

SLM:000703763
slm:000703763
UQKONGBTZFNBQX-SFVTZJANSA-M 		1-O-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:0/18:1(9Z)/16:0)

vmhM:g3pe_1ocdc1Z2oleicNhdca
vmhM:g3pe_1ocdc1Z2oleicNhdca
vmhmetabolite:g3pe_1ocdc1Z2oleicNhdca
vmhmetabolite:g3pe_1ocdc1Z2oleicNhdca
UQKONGBTZFNBQX-SFVTZJANSA-M 		N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine

CHEBI:139401
chebi:139401
UQKONGBTZFNBQX-SFVTZJANSA-N 		N-hexadecanoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine
(24R,27Z)-21-hydroxy-16,21-dioxo-20,22,26-trioxa-17-aza-21lambda(5)-phosphatetratetracont-27-en-24-yl (9Z)-octadec-9-enoate
1-O-(1Z-octadecenoyl)-2-oleoyl-sn-glycero-3-phospho-(N-palmitoyl)-ethanolamine
N-palmitoyl-1-[(1Z)-octadecenoyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine

vmhM:g3petamn_Nhdca_1Zocdca_2oleic
vmhM:g3petamn_Nhdca_1Zocdca_2oleic
vmhM:M_g3pe_1ocdc1Z2oleicNhdca 		secondary/obsolete/fantasy identifier