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CHEBI:222898 - Sanglifehrin B

ChEBI IDCHEBI:222898
ChEBI NameSanglifehrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H89N5O12
Net Charge0
Average Mass1072.395
Monoisotopic Mass1071.65077
SMILESCC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@H](C[C@H](O)[C@@H](C)CC/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@H](C)[C@@H](O)[C@@H](CCC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3O)C(=O)N3CCC[C@H](N3)C(=O)O1)[C@H](C)C=C2C
InChIInChI=1S/C60H89N5O12/c1-11-43-32-40(8)60(63-55(43)71)39(7)31-38(6)52(77-60)34-50(69)36(4)21-14-12-15-22-37(5)51-27-17-13-16-25-48(67)42(10)54(70)45(29-28-41(9)66)56(72)62-53(35(2)3)57(73)61-47(33-44-23-18-19-26-49(44)68)58(74)65-30-20-24-46(64-65)59(75)76-51/h12-13,15-19,22-23,25-26,31,35-36,38,40,42-43,45-48,50-54,64,67-70H,11,14,20-21,24,27-30,32-34H2,1-10H3,(H,61,73)(H,62,72)(H,63,71)/b15-12+,17-13+,25-16+,37-22+/t36-,38+,40-,42-,43-,45+,46-,47-,48-,50-,51-,52-,53-,54+,60-/m0/s1
InChIKeyOOMJFCAHDKEMST-OUDVSWMGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10480571)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sanglifehrin B (CHEBI:222898) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-[(2E,4E,8S,9S)-10-[(2S,3R,6R,9S,11S)-9-ethyl-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-4-en-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(2-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone