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CHEBI:219435 - Mccrearamycin B

ChEBI IDCHEBI:219435
ChEBI NameMccrearamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46N2O12
Net Charge0
Average Mass626.700
Monoisotopic Mass626.30507
SMILESCOC(=O)[C@@]1(O)C(OC)=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C[C@@H](O)/C=C(\C)C(=O)N[C@@H]1C2=O
InChIInChI=1S/C30H46N2O12/c1-14-9-19-23(35)25(30(39,26(19)42-7)28(37)43-8)32-27(36)17(4)12-18(33)13-21(41-6)24(44-29(31)38)16(3)11-15(2)22(34)20(10-14)40-5/h11-12,14-15,18,20-22,24-25,33-34,39H,9-10,13H2,1-8H3,(H2,31,38)(H,32,36)/b16-11+,17-12+/t14-,15+,18+,20+,21+,22-,24+,25-,30+/m1/s1
InChIKeyFUPMPXRFLMXKEE-JPIZSDEJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
ChEBI Ontology
Outgoing Relation(s)
Mccrearamycin B (CHEBI:219435) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
methyl (1S,4E,6R,8S,9S,10E,12S,13R,14S,16R,20S)-9-carbamoyloxy-6,13,20-trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,21-dioxo-2-azabicyclo[16.2.1]henicosa-4,10,18-triene-20-carboxylate
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