| Properties | Image (std) | Image (mnx) |
|---|
| MNX_ID | MNXM1531641 |
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| reference | hmdb:HMDB0278498 |
| formula (std) | C47H80O17P2 |
| global charge (std) | 0 |
| mol weight (std) | 979.088 |
| InChIKey (std) | DLBLIZWYXYWCJN-VMVMXOPESA-N |
| InChI (std) | InChI=1S/C47H80O17P2/c1-3-5-7-8-9-10-11-13-18-21-24-27-31-35-41(50)62-39(37-61-66(58,59)64-47-44(53)42(51)43(52)46(45(47)54)63-65(55,56)57)36-60-40(49)34-30-26-23-20-17-15-12-14-16-19-22-25-29-33-38(48)32-28-6-4-2/h6,14-17,22-23,25-26,28-29,33,38-39,42-48,51-54H,3-5,7-13,18-21,24,27,30-32,34-37H2,1-2H3,(H,58,59)(H2,55,56,57)/b16-14-,17-15-,25-22+,26-23-,28-6-,33-29+/t38?,39-,42?,43?,44?,45?,46-,47+/m1/s1 |
| InChI (mnx) | InChI=1/C47H80O17P2/c1-3-5-7-8-9-10-11-13-18-21-24-27-31-35-41(50)62-39(37-61-66(58,59)64-47-44(53)42(51)43(52)46(45(47)54)63-65(55,56)57)36-60-40(49)34-30-26-23-20-17-15-12-14-16-19-22-25-29-33-38(48)32-28-6-4-2/h6,14-17,22-23,25-26,28-29,33,38-39,42-48,51-54H,3-5,7-13,18-21,24,27,30-32,34-37H2,1-2H3,(H,58,59)(H2,55,56,57)/b16-14-,17-15-,25-22+,26-23-,28-6-,33-29+/t38?,39-,42?,43?,44?,45?,46-,47+/m1/s1 |
| SMILES (std) | CC/C=CU+005CCC(O)/C=C/C=C/C/C=CU+005CC/C=CU+005CC/C=CU+005CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCC |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:13][CH2:18][CH2:21][CH2:24][CH2:27][CH2:31][CH2:35][C:41](=[O:50])[O:62][C@H:39]([CH2:36][O:60][C:40]([CH2:34][CH2:30]/[CH:26]=[CH:23]U+005C[CH2:20]/[CH:17]=[CH:15]U+005C[CH2:12]/[CH:14]=[CH:16]U+005C[CH2:19]/[CH:22]=[CH:25]/[CH:29]=[CH:33]/[CH:38]([CH2:32]/[CH:28]=[CH:6]U+005C[CH2:4][CH3:2])[OH:48])=[O:49])[CH2:37][O:61][P:66]([OH:58])(=[O:59])[O:64][C@H:47]1[CH:44]([OH:53])[CH:42]([OH:51])[CH:43]([OH:52])[C@@H:46]([O:63][P:65]([OH:55])([OH:56])=[O:57])[CH:45]1[OH:54] |
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