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CHEBI:222748 - Orfamide H

ChEBI IDCHEBI:222748
ChEBI NameOrfamide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H116N10O17
Net Charge0
Average Mass1309.696
Monoisotopic Mass1308.85199
SMILESCCCCCCCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C65H116N10O17/c1-15-17-18-19-20-21-22-23-24-25-26-43(78)33-51(79)66-45(29-36(3)4)57(83)67-44(27-28-52(80)81)56(82)75-55-42(14)92-65(91)53(40(11)12)73-62(88)50(35-77)72-59(85)47(31-38(7)8)68-58(84)46(30-37(5)6)69-61(87)49(34-76)71-60(86)48(32-39(9)10)70-63(89)54(41(13)16-2)74-64(55)90/h36-50,53-55,76-78H,15-35H2,1-14H3,(H,66,79)(H,67,83)(H,68,84)(H,69,87)(H,70,89)(H,71,86)(H,72,85)(H,73,88)(H,74,90)(H,75,82)(H,80,81)/t41-,42+,43?,44-,45-,46-,47-,48-,49-,50-,53-,54-,55-/m0/s1
InChIKeyDWMZHBRAZSJRFR-YPALUUNWSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas protegens CHA0 (ncbitaxon:1124983) - PubMed (31666660)
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 H (CHEBI:222748) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4S)-5-[[(3S,6S,9S,12S,15S,18S,21S,24S,25R)-21-[(2S)-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-[[(2S)-2-(3-hydroxypentadecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid