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CHEBI:216846 - SPF-5506-A4

ChEBI IDCHEBI:216846
ChEBI NameSPF-5506-A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H121N15O17
Net Charge0
Average Mass1444.826
Monoisotopic Mass1443.90649
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(C)=O)[C@@H](C)CC)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C70H121N15O17/c1-20-40(9)52(77-55(91)46(34-51(71)89)76-63(99)67(12,13)79-42(11)88)61(97)81-70(18,19)66(102)85-30-24-27-50(85)60(96)75-47(36-87)56(92)78-53(41(10)21-2)62(98)82-69(16,17)65(101)84-29-23-26-49(84)59(95)74-44(32-38(5)6)54(90)73-45(33-39(7)8)57(93)80-68(14,15)64(100)83-28-22-25-48(83)58(94)72-43(35-86)31-37(3)4/h37-41,43-50,52-53,86-87H,20-36H2,1-19H3,(H2,71,89)(H,72,94)(H,73,90)(H,74,95)(H,75,96)(H,76,99)(H,77,91)(H,78,92)(H,79,88)(H,80,93)(H,81,97)(H,82,98)/t40-,41-,43-,44-,45-,46-,47-,48-,49-,50-,52-,53-/m0/s1
InChIKeyYZVYIHVCDFXXEZ-PQPDOUHQSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies (ncbitaxon:1715253) - PubMed (17446690)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SPF-5506-A4 (CHEBI:216846) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-N-[(2S,3S)-1-[[1-[(2S)-2-[[(2S)-3-hydroxy-1-[[(2S,3S)-1-[[1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]butanediamide
Manual XrefsDatabases
17284173ChemSpider