EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200326 - Phomafungin

Default Structure
ChEBI IDCHEBI:200326
ChEBI NamePhomafungin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89N9O17
Net Charge0
Average Mass1100.319
Monoisotopic Mass1099.63764
SMILESCCCCCCCCCCCCC(C)C1COCCC(=O)C(CCO)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CO)NCCC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(CCO)NC(=O)[C@H](C)NC(=O)C1
InChIInChI=1S/C51H89N9O17/c1-5-6-7-8-9-10-11-12-13-14-15-31(2)34-26-43(68)55-32(3)46(71)57-38(20-24-62)48(73)58-37(16-17-44(69)70)47(72)54-28-35(65)18-22-53-40(29-63)50(75)59-39(27-42(52)67)49(74)60-45(33(4)64)51(76)56-36(19-23-61)41(66)21-25-77-30-34/h31-34,36-40,45,53,61-64H,5-30H2,1-4H3,(H2,52,67)(H,54,72)(H,55,68)(H,56,76)(H,57,71)(H,58,73)(H,59,75)(H,60,74)(H,69,70)/t31?,32-,33-,34?,36?,37-,38?,39+,40-,45+/m0/s1
InChIKeyPYTIXGOTWUBKRV-KKXOSGRXSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (19112025)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phomafungin (CHEBI:200326) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(7S,13S,21S,24R,27R)-24-(2-amino-2-oxoethyl)-27-[(1S)-1-hydroxyethyl]-10,30-bis(2-hydroxyethyl)-21-(hydroxymethyl)-7-methyl-5,8,11,14,17,22,25,28,31-nonaoxo-3-tetradecan-2-yl-1-oxa-6,9,12,15,20,23,26,29-octazacyclotritriacont-13-yl]propanoic acid
Manual XrefsDatabases
78445493ChemSpider