| Properties | Image |
|---|
| MNX_ID | MNXM106891 |
 |
| reference | chebi:143846 |
| formula | C44H87NO4 |
| global charge | 0 |
| mol weight | 694.183 |
| InChIKey | WUTFAZMEKPWENX-OACHQDHNSA-N |
| InChI | InChI=1S/C44H87NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-43(48)44(49)45-41(39-46)42(47)37-34-31-28-26-23-24-27-30-33-36-40(2)3/h34,37,40-43,46-48H,4-33,35-36,38-39H2,1-3H3,(H,45,49)/b37-34+/t41-,42+,43+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C44H87NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-43(48)44(49)45-41(39-46)42(47)37-34-31-28-26-23-24-27-30-33-36-40(2)3/h34,37,40-43,46-48H,4-33,35-36,38-39H2,1-3H3,(H,45,49)/b37-34+/t41-,42+,43+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:25][CH2:29][CH2:32][CH2:35][CH2:38][C@H:43]([C:44](=[N:45][C@@H:41]([CH2:39][OH:46])[C@@H:42](/[CH:37]=[CH:34]/[CH2:31][CH2:28][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:40]([CH3:2])[CH3:3])[OH:47])[OH:49])[OH:48] |
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