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CHEBI:224158 - LP237-F5

ChEBI IDCHEBI:224158
ChEBI NameLP237-F5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H108N14O16
Net Charge0
Average Mass1341.661
Monoisotopic Mass1340.80677
SMILESCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@](CC)(CCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CO)CC(C)C
InChIInChI=1S/C65H108N14O16/c1-13-16-17-18-19-22-51(85)75-64(11,12)61(95)79-34-20-21-47(79)57(91)72-46(36-40-23-25-42(81)26-24-40)56(90)77-62(7,8)58(92)73-44(28-31-49(67)83)54(88)71-45(29-32-50(68)84)55(89)76-63(9,10)59(93)78-65(15-3,33-14-2)60(94)74-43(27-30-48(66)82)53(87)69-39(6)52(86)70-41(37-80)35-38(4)5/h23-26,38-39,41,43-47,80-81H,13-22,27-37H2,1-12H3,(H2,66,82)(H2,67,83)(H2,68,84)(H,69,87)(H,70,86)(H,71,88)(H,72,91)(H,73,92)(H,74,94)(H,75,85)(H,76,89)(H,77,90)(H,78,93)/t39-,41-,43-,44-,45-,46-,47-,65-/m0/s1
InChIKeyXCWSPRIVWUZECV-SBBCGHSHSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium geodes (ncbitaxon:38000) - DOI (10.1139/v96-020)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LP237-F5 (CHEBI:224158) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-N-[1-[[(3S)-3-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]hexan-3-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[[(2S)-5-amino-2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[2-methyl-2-(octanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoyl]amino]pentanediamide
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