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CHEBI:212030 - Microsclerodermin L

ChEBI IDCHEBI:212030
ChEBI NameMicrosclerodermin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H51ClN8O13
Net Charge0
Average Mass899.355
Monoisotopic Mass898.32641
SMILESCOC1C(=O)N[C@@]2(O)CC(=O)N(C)CC(=O)N[C@H](Cc3cnc4cc(Cl)ccc34)C(=O)NCC(=O)NC[C@H](O)CC(=O)N[C@H]([C@H](O)[C@@H](O)CC=Cc3ccccc3)[C@H](O)C(=O)N[C@H]12
InChIInChI=1S/C41H51ClN8O13/c1-50-20-31(55)46-27(13-22-17-43-26-14-23(42)11-12-25(22)26)38(59)45-19-30(54)44-18-24(51)15-29(53)47-33(34(57)28(52)10-6-9-21-7-4-3-5-8-21)35(58)39(60)48-37-36(63-2)40(61)49-41(37,62)16-32(50)56/h3-9,11-12,14,17,24,27-28,33-37,43,51-52,57-58,62H,10,13,15-16,18-20H2,1-2H3,(H,44,54)(H,45,59)(H,46,55)(H,47,53)(H,48,60)(H,49,61)/t24-,27-,28+,33-,34-,35+,36?,37-,41-/m1/s1
InChIKeyRUYOLBUZCDHXSS-ATUFKVTMSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (24124771)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microsclerodermin L (CHEBI:212030) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(1R,4S,5R,9R,16R,23R)-16-[(6-chloro-1H-indol-3-yl)methyl]-5-[(1S,2S)-1,2-dihydroxy-5-phenylpent-4-enyl]-4,9,23-trihydroxy-26-methoxy-20-methyl-2,6,11,14,17,20,24-heptazabicyclo[21.3.0]hexacosane-3,7,12,15,18,21,25-heptone