| Properties | Image |
|---|
| MNX_ID | MNXM1131744 |
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| reference | lipidmapsM:LMSP05010116 |
| formula | C43H81NO9 |
| global charge | 0 |
| mol weight | 756.119 |
| InChIKey | RIZIAUKTHDLMQX-VSHUTMHMSA-N |
| InChI | InChI=1S/C43H81NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h27,29-30,35-41,43,45-50H,4-26,28,31-33H2,1-3H3,(H,44,51)/b30-27+,34-29+/t35-,36+,37+,38+,39-,40-,41+,43+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H81NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h27,29-30,35-41,43,45-50H,4-26,28,31-33H2,1-3H3,(H,44,51)/b30-27+,34-29+/t35-,36+,37+,38+,39-,40-,41+,43+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:22][CH2:26][CH2:31][C@H:37]([C:42](=[N:44][C@@H:35]([CH2:33][O:52][C@H:43]1[C@H:41]([OH:50])[C@@H:40]([OH:49])[C@@H:39]([OH:48])[C@@H:38]([CH2:32][OH:45])[O:53]1)[C@@H:36](/[CH:30]=[CH:27]/[CH2:23][CH2:25]/[CH:29]=[C:34](\[CH3:3])[CH2:28][CH2:24][CH2:21][CH2:19][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:46])[OH:51])[OH:47] |
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