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CHEBI:206104 - Microsclerodermin M

ChEBI IDCHEBI:206104
ChEBI NameMicrosclerodermin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H54N8O12
Net Charge0
Average Mass886.960
Monoisotopic Mass886.38612
SMILESCN1CC(=O)N[C@H](Cc2cnc3ccccc23)C(=O)NCC(=O)NC[C@H](O)CC(=O)N[C@H]([C@H](O)[C@@H](O)CC=CC=CC=Cc2ccccc2)[C@H](O)C(=O)N[C@@H]2CC(=O)N[C@@]2(O)CC1=O
InChIInChI=1S/C44H54N8O12/c1-52-25-37(58)48-31(18-27-22-45-30-16-11-10-15-29(27)30)42(62)47-24-36(57)46-23-28(53)19-34(55)50-39(41(61)43(63)49-33-20-35(56)51-44(33,64)21-38(52)59)40(60)32(54)17-9-4-2-3-6-12-26-13-7-5-8-14-26/h2-16,22,28,31-33,39-41,45,53-54,60-61,64H,17-21,23-25H2,1H3,(H,46,57)(H,47,62)(H,48,58)(H,49,63)(H,50,55)(H,51,56)/t28-,31-,32+,33-,39-,40-,41+,44-/m1/s1
InChIKeyQHVAQCHLFYOGDB-UIXLQRKESA-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 M (CHEBI:206104) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(1R,4S,5R,9R,16R,23R)-5-[(1S,2S)-1,2-dihydroxy-9-phenylnona-4,6,8-trienyl]-4,9,23-trihydroxy-16-(1H-indol-3-ylmethyl)-20-methyl-2,6,11,14,17,20,24-heptazabicyclo[21.3.0]hexacosane-3,7,12,15,18,21,25-heptone