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CHEBI:225484 - Helioferin B

ChEBI IDCHEBI:225484
ChEBI NameHelioferin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H106N10O12
Net Charge0
Average Mass1135.544
Monoisotopic Mass1134.79917
SMILESCCCCCCC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)CC(O)CC(=O)CC)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C58H106N10O12/c1-18-22-23-24-26-38(8)52(77)68-28-25-27-44(68)49(74)61-43(32-35(5)31-42(71)33-41(70)21-4)48(73)60-40(10)47(72)64-56(11,12)54(79)63-45(36(6)19-2)50(75)62-46(37(7)20-3)51(76)65-58(15,16)55(80)66-57(13,14)53(78)59-39(9)34-67(17)29-30-69/h35-40,42-46,69,71H,18-34H2,1-17H3,(H,59,78)(H,60,73)(H,61,74)(H,62,75)(H,63,79)(H,64,72)(H,65,76)(H,66,80)/t35?,36-,37-,38?,39?,40-,42?,43-,44-,45-,46-/m0/s1
InChIKeyRCPIMLSMZKFBDC-DTEIJITISA-N
Species of MetaboliteComponentSourceComments
Mycogone (ncbitaxon:129584) - PubMed (7706122)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Helioferin B (CHEBI:225484) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-6-hydroxy-1-[[(2S)-1-[[1-[[(2S,3S)-1-[[(2S,3S)-1-[[1-[[1-[1-[2-hydroxyethyl(methyl)amino]propan-2-ylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-(2-methyloctanoyl)pyrrolidine-2-carboxamide
Manual XrefsDatabases
78445694ChemSpider