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candicidin D

MNXM45369 is deprecated and here replaced by MNXM736375
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736375 Image of MNXM736375
referencechebi:3349
formulaC59H84N2O18
global charge0
mol weight1109.317
InChIKeyOPGSFDUODIJJGF-JBUZINEHSA-N
InChIInChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1
SMILESCC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)C1=CC=C(N)C=C1
MNX internals
InChI (mnx)InChI=1/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1 Image of MNXM736375
SMILES (mnx)[CH3:1][CH:35]1/[CH:18]=[CH:15]/[CH:13]=[CH:11]/[CH:9]=[CH:7]/[CH:5]=[CH:6]/[CH:8]=[CH:10]/[CH:12]=[CH:14]/[CH:16]=[CH:21]/[CH:47]([O:78][CH:59]2[C@@H:56]([OH:74])[C@@H:54]([NH2:61])[C@H:55]([OH:73])[C@@H:38]([CH3:4])[O:77]2)[CH2:33][CH:51]([OH:71])[CH:53]([C:58](=[O:75])[OH:76])[CH:50]([OH:70])[CH2:31][C:46](=[O:67])[CH2:30][CH:45]([OH:66])[CH2:29][CH:44]([OH:65])[CH2:28][CH:43]([OH:64])[CH2:27][C:41](=[O:62])[CH2:19][CH2:17][CH2:20][C:42](=[O:63])[CH2:32][C:52](=[O:72])[O:79][CH:57]1[CH:37]([CH3:3])[CH2:26][CH:36]([CH3:2])[CH:48]([CH2:34][C:49]([C:39]1=[CH:23][CH:25]=[C:40]([NH2:60])[CH:24]=[CH:22]1)=[O:69])[OH:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3349
chebi:3349
OPGSFDUODIJJGF-JBUZINEHSA-N 		candicidin D
(23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
Candicidin D
candicidin D1
levorin A2