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CHEBI:45527 - SANGLIFEHRIN A

Default Structure
ChEBI IDCHEBI:45527
ChEBI NameSANGLIFEHRIN A
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC60H91N5O13
Net Charge0
Average Mass1090.410
Monoisotopic Mass1089.66134
SMILES[H]Oc1c([H])c([H])c([H])c(C([H])([H])[C@@]2([H])C(=O)N3N([H])[C@]([H])(C(=O)O[C@]([H])(/C(=C([H])/C([H])=C(\[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]4([H])O[C@@]5(N([H])C(=O)[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@]5([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]4([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])/C([H])=C([H])/C([H])=C(\[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])C([H])([H])C(=O)C([H])([H])[H])C(=O)N([H])[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N2[H])C([H])([H])C([H])([H])C3([H])[H])c1[H]
InChIInChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1
InChIKeyONJZYZYZIKTIEG-CFBQITSMSA-N
ChEBI Ontology
Outgoing Relation(s)
SANGLIFEHRIN A (CHEBI:45527) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-2-yl]-8-hydroxy-1,7-dimethylnona-1,3-dien-1-yl}-10,12-dihydroxy-3-(3-hydroxybenzyl)-11-methyl-6-(1-methylethyl)-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetronePDBeChem
SANGLIFEHRIN APDBeChem
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