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CHEBI:219461 - Geldanamycin F

ChEBI IDCHEBI:219461
ChEBI NameGeldanamycin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N2O10
Net Charge0
Average Mass578.659
Monoisotopic Mass578.28395
SMILESCOC1=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](/C=C\C=C(/C)C(=O)O)OC)C(=O)C(N)=CC1=O
InChIInChI=1S/C29H42N2O10/c1-15(11-19-25(34)20(30)14-21(32)27(19)40-7)12-23(39-6)24(33)17(3)13-18(4)26(41-29(31)37)22(38-5)10-8-9-16(2)28(35)36/h8-10,13-15,17,22-24,26,33H,11-12,30H2,1-7H3,(H2,31,37)(H,35,36)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
InChIKeyQLZJHIDNTPSPOO-KSRBKZBZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Geldanamycin F (CHEBI:219461) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4Z,6S,7S,8E,10S,11R,12S,14R)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoic acid
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78440633ChemSpider