N-[3,4-Dihydroxy-1-({hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)octadecan-2-yl]-2-hydroxyhexacosanimidic acid

Properties Image MNX_ID MNXM105743 reference chebi:185310 formula C50H100NO13P global charge 0 mol weight 954.318 InChIKey PMXMKGYRVPAIJJ-UHFFFAOYSA-N InChI InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62) SMILES CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH:42]([C:50](=[N:51][CH:40]([CH2:39][O:63][P:65]([OH:61])(=[O:62])[O:64][CH:49]1[CH:47]([OH:58])[CH:45]([OH:56])[CH:44]([OH:55])[CH:46]([OH:57])[CH:48]1[OH:59])[CH:43]([CH:41]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:54])[OH:60])[OH:53]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0