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CHEBI:199388 - Orfamide B

ChEBI IDCHEBI:199388
ChEBI NameOrfamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC63H112N10O17
Net Charge0
Average Mass1281.642
Monoisotopic Mass1280.82069
SMILESCCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)OC1C
InChIInChI=1S/C63H112N10O17/c1-15-16-17-18-19-20-21-22-23-24-41(76)31-49(77)64-43(27-34(2)3)55(81)65-42(25-26-50(78)79)54(80)73-53-40(14)90-63(89)52(39(12)13)72-60(86)48(33-75)70-57(83)45(29-36(6)7)66-56(82)44(28-35(4)5)67-59(85)47(32-74)69-58(84)46(30-37(8)9)68-61(87)51(38(10)11)71-62(53)88/h34-48,51-53,74-76H,15-33H2,1-14H3,(H,64,77)(H,65,81)(H,66,82)(H,67,85)(H,68,87)(H,69,84)(H,70,83)(H,71,88)(H,72,86)(H,73,80)(H,78,79)
InChIKeyFPMIEPCWEZBKGP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas protegens Pf-5 (ncbitaxon:220664) - PubMed (17254952)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Orfamide B (CHEBI:199388) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[2-(3-hydroxytetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
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