| Properties | Image |
|---|
| MNX_ID | MNXM215424 |
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| reference | slm:000439994 |
| formula | C39H71O22P4 |
| global charge | -7 |
| mol weight | 1015.871 |
| InChIKey | MFUBZRYDNYCOGJ-ALMAHJEJSA-G |
| InChI | InChI=1S/C39H78O22P4/c1-4-5-6-7-8-9-10-11-14-18-21-24-27-33(41)57-31(28-55-32(40)26-23-20-17-15-12-13-16-19-22-25-30(2)3)29-56-65(53,54)61-36-34(42)37(58-62(44,45)46)39(60-64(50,51)52)38(35(36)43)59-63(47,48)49/h30-31,34-39,42-43H,4-29H2,1-3H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/p-7/t31-,34+,35+,36-,37+,38-,39-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H78O22P4/c1-4-5-6-7-8-9-10-11-14-18-21-24-27-33(41)57-31(28-55-32(40)26-23-20-17-15-12-13-16-19-22-25-30(2)3)29-56-65(53,54)61-36-34(42)37(58-62(44,45)46)39(60-64(50,51)52)38(35(36)43)59-63(47,48)49/h30-31,34-39,42-43H,4-29H2,1-3H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/t31-,34+,35+,36-,37+,38-,39-/m1/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][CH2:14][CH2:18][CH2:21][CH2:24][CH2:27][C:33](=[O:41])[O:57][C@H:31]([CH2:28][O:55][C:32]([CH2:26][CH2:23][CH2:20][CH2:17][CH2:15][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH:30]([CH3:2])[CH3:3])=[O:40])[CH2:29][O:56][P:65]([OH:53])(=[O:54])[O:61][C@@H:36]1[C@H:34]([OH:42])[C@H:37]([O:58][P:62]([OH:44])([OH:45])=[O:46])[C@@H:39]([O:60][P:64]([OH:50])([OH:51])=[O:52])[C@H:38]([O:59][P:63]([OH:47])([OH:48])=[O:49])[C@H:35]1[OH:43] |
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