| Properties | Image |
|---|
| MNX_ID | MNXM23913 |
 |
| reference | chebi:137792 |
| formula | C45H76NO7P |
| global charge | 0 |
| mol weight | 774.077 |
| InChIKey | KXCAVCBNVMAURC-XLXOSIANSA-N |
| InChI | InChI=1S/C45H76NO7P/c46-23-25-52-54(48,49)53-29-32(50-24-11-7-2-1-4-8-12-30-15-17-37-39(26-30)44-35-21-19-33(35)42(37)44)28-51-41(47)14-10-6-3-5-9-13-31-16-18-38-40(27-31)45-36-22-20-34(36)43(38)45/h30-40,42-45H,1-29,46H2,(H,48,49)/t30?,31?,32-,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?/m1/s1 |
| SMILES | NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCC1CCC2C(C1)C1C3CCC3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
MNX internals
| InChI (mnx) | InChI=1/C45H76NO7P/c46-23-25-52-54(48,49)53-29-32(50-24-11-7-2-1-4-8-12-30-15-17-37-39(26-30)44-35-21-19-33(35)42(37)44)28-51-41(47)14-10-6-3-5-9-13-31-16-18-38-40(27-31)45-36-22-20-34(36)43(38)45/h30-40,42-45H,1-29,46H2,(H,48,49)/t30?,31?,32-,33?,34?,35?,36?,37?,38?,39?,40?,42?,43?,44?,45?/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:7][CH2:11][CH2:24][O:50][C@H:32]([CH2:28][O:51][C:41]([CH2:14][CH2:10][CH2:6][CH2:3][CH2:5][CH2:9][CH2:13][CH:31]1[CH2:16][CH2:18][CH:38]2[CH:40]([CH2:27]1)[CH:45]1[CH:36]3[CH2:22][CH2:20][CH:34]3[CH:43]21)=[O:47])[CH2:29][O:53][P:54]([OH:48])(=[O:49])[O:52][CH2:25][CH2:23][NH2:46])[CH2:4][CH2:8][CH2:12][CH:30]1[CH2:15][CH2:17][CH:37]2[CH:39]([CH2:26]1)[CH:44]1[CH:35]3[CH2:21][CH2:19][CH:33]3[CH:42]21 |
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