| Properties | Image |
|---|
| MNX_ID | MNXM736316 |
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| reference | biggM:cdpdhdec9eg |
| formula | C44H75N3O15P2 |
| global charge | -2 |
| mol weight | 948.038 |
| InChIKey | LBKBJHVQQNUXGQ-UHFFFAOYSA-L |
| InChI | InChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/p-2 |
| SMILES | CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=CC(N)=NC2=O)C(O)C1O)OC(=O)CCCCCCCC=CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/b15-13?,16-14?/t36?,37?,41?,42?,43? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:39](=[O:48])[O:57][CH2:33][CH:36]([CH2:34][O:58][P:63]([OH:53])(=[O:54])[O:62][P:64]([OH:55])(=[O:56])[O:59][CH2:35][CH:37]1[CH:41]([OH:50])[CH:42]([OH:51])[CH:43]([N:47]2[CH:32]=[CH:31][C:38](=[NH:45])[N:46]=[C:44]2[OH:52])[O:61]1)[O:60][C:40]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH:16]=[CH:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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