| Properties | Image |
|---|
| MNX_ID | MNXM147329 |
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| reference | biggM:um4p |
| formula | C38H56N8O27P2 |
| global charge | -4 |
| mol weight | 1118.843 |
| InChIKey | QKWIMSUVANLDFA-UHFFFAOYSA-J |
| InChI | InChI=1S/C38H60N8O27P2/c1-14(39)30(54)43-19(35(59)60)7-5-6-18(34(57)58)42-23(49)9-8-20(36(61)62)44-31(55)15(2)40-32(56)16(3)69-29-25(41-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,56)(H,41,48)(H,42,49)(H,43,54)(H,44,55)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/p-4 |
| SMILES | CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OCC2OC(N3C=CC(=O)NC3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)C(C)[NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C38H60N8O27P2/c1-14(39)30(54)43-19(35(59)60)7-5-6-18(34(57)58)42-23(49)9-8-20(36(61)62)44-31(55)15(2)40-32(56)16(3)69-29-25(41-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,56)(H,41,48)(H,42,49)(H,43,54)(H,44,55)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/t14?,15?,16?,18?,19?,20?,21?,22?,25?,26?,27?,28?,29?,33?,37? |
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| SMILES (mnx) | [CH3:1][CH:14]([C:30](=[N:43][CH:19]([CH2:7][CH2:5][CH2:6][CH:18]([C:34](=[O:57])[OH:58])[N:42]=[C:23]([CH2:9][CH2:8][CH:20]([C:36](=[O:61])[OH:62])[N:44]=[C:31]([CH:15]([CH3:2])[N:40]=[C:32]([CH:16]([CH3:3])[O:69][CH:29]1[CH:25]([N:41]=[C:17]([CH3:4])[OH:48])[CH:37]([O:72][P:75]([OH:66])(=[O:67])[O:73][P:74]([OH:64])(=[O:65])[O:68][CH2:13][CH:22]2[CH:26]([OH:51])[CH:28]([OH:53])[CH:33]([N:46]3[CH:11]=[CH:10][C:24]([OH:50])=[N:45][C:38]3=[O:63])[O:70]2)[O:71][CH:21]([CH2:12][OH:47])[CH:27]1[OH:52])[OH:56])[OH:55])[OH:49])[C:35](=[O:59])[OH:60])[OH:54])[NH2:39] |
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