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CHEBI:202389 - Orfamide C

ChEBI IDCHEBI:202389
ChEBI NameOrfamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H110N10O17
Net Charge0
Average Mass1267.615
Monoisotopic Mass1266.80504
SMILESCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)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/C62H110N10O17/c1-15-17-18-19-20-21-22-23-40(75)30-48(76)63-42(26-33(3)4)54(80)64-41(24-25-49(77)78)53(79)72-52-39(14)89-62(88)50(37(11)12)70-59(85)47(32-74)69-56(82)44(28-35(7)8)65-55(81)43(27-34(5)6)66-58(84)46(31-73)68-57(83)45(29-36(9)10)67-60(86)51(38(13)16-2)71-61(52)87/h33-47,50-52,73-75H,15-32H2,1-14H3,(H,63,76)(H,64,80)(H,65,81)(H,66,84)(H,67,86)(H,68,83)(H,69,82)(H,70,85)(H,71,87)(H,72,79)(H,77,78)
InChIKeySTDTUHSFISWYFO-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 C (CHEBI:202389) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
5-[[21-butan-2-yl-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[2-(3-hydroxydodecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
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