| Properties | Image |
|---|
| MNX_ID | MNXM1074 |
 |
| reference | chebi:59091 |
| formula | C89H152N2O57P2 |
| global charge | 0 |
| mol weight | 2224.1 |
| InChIKey | UQLWXJDCXVHBGU-WSCSDPMKSA-N |
| InChI | InChI=1S/C89H152N2O57P2/c1-33(2)13-9-14-34(3)15-10-16-35(4)17-11-18-36(5)19-12-20-37(6)21-22-129-149(123,124)148-150(125,126)147-81-51(91-39(8)101)61(111)73(47(30-99)137-81)140-80-50(90-38(7)100)60(110)74(46(29-98)136-80)141-86-72(122)76(143-88-79(67(117)57(107)44(27-96)134-88)146-89-78(66(116)56(106)45(28-97)135-89)145-85-70(120)64(114)54(104)42(25-94)132-85)59(109)49(139-86)32-128-83-71(121)75(58(108)48(138-83)31-127-82-68(118)62(112)52(102)40(23-92)130-82)142-87-77(65(115)55(105)43(26-95)133-87)144-84-69(119)63(113)53(103)41(24-93)131-84/h13,15,17,19,37,40-89,92-99,102-122H,9-12,14,16,18,20-32H2,1-8H3,(H,90,100)(H,91,101)(H,123,124)(H,125,126)/b34-15+,35-17+,36-19+/t37?,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75+,76+,77+,78+,79+,80+,81-,82+,83+,84-,85-,86+,87-,88-,89-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C89H152N2O57P2/c1-33(2)13-9-14-34(3)15-10-16-35(4)17-11-18-36(5)19-12-20-37(6)21-22-129-149(123,124)148-150(125,126)147-81-51(91-39(8)101)61(111)73(47(30-99)137-81)140-80-50(90-38(7)100)60(110)74(46(29-98)136-80)141-86-72(122)76(143-88-79(67(117)57(107)44(27-96)134-88)146-89-78(66(116)56(106)45(28-97)135-89)145-85-70(120)64(114)54(104)42(25-94)132-85)59(109)49(139-86)32-128-83-71(121)75(58(108)48(138-83)31-127-82-68(118)62(112)52(102)40(23-92)130-82)142-87-77(65(115)55(105)43(26-95)133-87)144-84-69(119)63(113)53(103)41(24-93)131-84/h13,15,17,19,37,40-89,92-99,102-122H,9-12,14,16,18,20-32H2,1-8H3,(H,90,100)(H,91,101)(H,123,124)(H,125,126)/b34-15+,35-17+,36-19+/t37?,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75+,76+,77+,78+,79+,80+,81-,82+,83+,84-,85-,86+,87-,88-,89-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:33]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:34]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:35]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:36]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:37]([CH3:6])[CH2:21][CH2:22][O:129][P:149]([OH:123])(=[O:124])[O:148][P:150]([OH:125])(=[O:126])[O:147][C@@H:81]1[C@H:51]([N:91]=[C:39]([CH3:8])[OH:101])[C@@H:61]([OH:111])[C@H:73]([O:140][C@H:80]2[C@H:50]([N:90]=[C:38]([CH3:7])[OH:100])[C@@H:60]([OH:110])[C@H:74]([O:141][C@H:86]3[C@@H:72]([OH:122])[C@@H:76]([O:143][C@@H:88]4[C@@H:79]([O:146][C@@H:89]5[C@@H:78]([O:145][C@@H:85]6[C@@H:70]([OH:120])[C@@H:64]([OH:114])[C@H:54]([OH:104])[C@@H:42]([CH2:25][OH:94])[O:132]6)[C@@H:66]([OH:116])[C@H:56]([OH:106])[C@@H:45]([CH2:28][OH:97])[O:135]5)[C@@H:67]([OH:117])[C@H:57]([OH:107])[C@@H:44]([CH2:27][OH:96])[O:134]4)[C@H:59]([OH:109])[C@@H:49]([CH2:32][O:128][C@@H:83]4[C@@H:71]([OH:121])[C@@H:75]([O:142][C@@H:87]5[C@@H:77]([O:144][C@@H:84]6[C@@H:69]([OH:119])[C@@H:63]([OH:113])[C@H:53]([OH:103])[C@@H:41]([CH2:24][OH:93])[O:131]6)[C@@H:65]([OH:115])[C@H:55]([OH:105])[C@@H:43]([CH2:26][OH:95])[O:133]5)[C@H:58]([OH:108])[C@@H:48]([CH2:31][O:127][C@@H:82]5[C@@H:68]([OH:118])[C@@H:62]([OH:112])[C@H:52]([OH:102])[C@@H:40]([CH2:23][OH:92])[O:130]5)[O:138]4)[O:139]3)[C@@H:46]([CH2:29][OH:98])[O:136]2)[C@@H:47]([CH2:30][OH:99])[O:137]1 |
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