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CHEBI:217840 - Helioferin A

ChEBI IDCHEBI:217840
ChEBI NameHelioferin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104N10O12
Net Charge0
Average Mass1121.517
Monoisotopic Mass1120.78352
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)CNCCO)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C57H104N10O12/c1-17-21-22-23-25-37(8)51(76)67-28-24-26-43(67)48(73)61-42(31-34(5)30-41(70)32-40(69)20-4)47(72)60-39(10)46(71)64-55(11,12)53(78)63-44(35(6)18-2)49(74)62-45(36(7)19-3)50(75)65-57(15,16)54(79)66-56(13,14)52(77)59-38(9)33-58-27-29-68/h34-39,41-45,58,68,70H,17-33H2,1-16H3,(H,59,77)(H,60,72)(H,61,73)(H,62,74)(H,63,78)(H,64,71)(H,65,75)(H,66,79)/t34?,35-,36-,37?,38?,39-,41?,42-,43-,44-,45-/m0/s1
InChIKeyYGRSOHXUOXMZOV-ZLQVPVCVSA-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 A (CHEBI:217840) 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-hydroxyethylamino)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
78445689ChemSpider