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CHEBI:224536 - Sarpeptin A

ChEBI IDCHEBI:224536
ChEBI NameSarpeptin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60N8O16
Net Charge0
Average Mass920.971
Monoisotopic Mass920.41273
SMILESCC(C)CC/C=C\C=C\C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(N)=O)C(O)C(=O)O)[C@@H](C)O)C(O)C(=O)O
InChIInChI=1S/C41H60N8O16/c1-20(2)10-8-6-7-9-11-27(52)43-18-28(53)44-19-29(54)47-32(34(56)41(64)65)39(61)46-26(17-23-12-14-24(51)15-13-23)37(59)48-30(22(5)50)38(60)45-25(16-21(3)4)36(58)49-31(35(42)57)33(55)40(62)63/h6-7,9,11-15,20-22,25-26,30-34,50-51,55-56H,8,10,16-19H2,1-5H3,(H2,42,57)(H,43,52)(H,44,53)(H,45,60)(H,46,61)(H,47,54)(H,48,59)(H,49,58)(H,62,63)(H,64,65)/b7-6-,11-9+/t22-,25-,26+,30+,31-,32+,33?,34?/m1/s1
InChIKeyOBKDDXMENXGSOG-JTKIAESISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31381320)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sarpeptin A (CHEBI:224536) is a peptide (CHEBI:16670)
IUPAC Name 
(3R)-4-amino-3-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-3-carboxy-3-hydroxy-2-[[2-[[2-[[(2E,4Z)-8-methylnona-2,4-dienoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-oxobutanoic acid