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CHEBI:224541 - Sarpeptin B

ChEBI IDCHEBI:224541
ChEBI NameSarpeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H62N8O16
Net Charge0
Average Mass934.998
Monoisotopic Mass934.42838
SMILESCCC(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/C42H62N8O16/c1-6-22(4)11-9-7-8-10-12-28(53)44-19-29(54)45-20-30(55)48-33(35(57)42(65)66)40(62)47-27(18-24-13-15-25(52)16-14-24)38(60)49-31(23(5)51)39(61)46-26(17-21(2)3)37(59)50-32(36(43)58)34(56)41(63)64/h7-8,10,12-16,21-23,26-27,31-35,51-52,56-57H,6,9,11,17-20H2,1-5H3,(H2,43,58)(H,44,53)(H,45,54)(H,46,61)(H,47,62)(H,48,55)(H,49,60)(H,50,59)(H,63,64)(H,65,66)/b8-7-,12-10+/t22?,23-,26-,27+,31+,32-,33+,34?,35?/m1/s1
InChIKeyFZUDENSOWQNVBO-BRWUTIDASA-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 B (CHEBI:224541) 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-methyldeca-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