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CHEBI:227101 - Scytodecamide

ChEBI IDCHEBI:227101
ChEBI NameScytodecamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85N11O12
Net Charge0
Average Mass996.262
Monoisotopic Mass995.63792
SMILESCC[C@H](C)[C@H](NC)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C
InChIInChI=1S/C47H85N11O12/c1-14-27(10)37(49-13)46(69)56-34(22-60)47(70)58-17-15-16-35(58)45(68)51-29(12)39(62)52-31(19-24(4)5)42(65)53-30(18-23(2)3)41(64)50-28(11)40(63)55-33(21-59)44(67)54-32(20-25(6)7)43(66)57-36(26(8)9)38(48)61/h23-37,49,59-60H,14-22H2,1-13H3,(H2,48,61)(H,50,64)(H,51,68)(H,52,62)(H,53,65)(H,54,67)(H,55,63)(H,56,69)(H,57,66)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKeyMWUJXBWFBABTFB-ICYBEGSVSA-N
Species of MetaboliteComponentSourceComments
Scytonemaspecies UIC 10036 (ncbitaxon:2304196) - PubMed (31769581)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Scytodecamide (CHEBI:227101) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1-[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]amino]propanoyl]pyrrolidine-2-carboxamide