CHEBI:208837 - Lipovelutibol D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lipovelutibol D
ChEBI ID CHEBI:208837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000085646088
Download Molfile XML SDF
Formula C39H71N7O9
Net Charge 0
Average Mass 782.037
Monoisotopic Mass 781.53133
InChI InChI=1S/C39H71N7O9/c1-12-15-16-17-18-19-30(47)40-22-31(48)41-26(9)33(49)43-28(20-23(4)5)35(51)46-39(11,14-3)38(55)42-27(10)34(50)45-32(25(8)13-2)36(52)44-29(37(53)54)21-24(6)7/h23-29,32H,12-22H2,1-11H3,(H,40,47)(H,41,48)(H,42,55)(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)/t25-,26-,27-,28-,29-,32-,39+/m0/s1
InChIKey SSGQHFJTHCQUEQ-YWCSKZJWSA-N
SMILES O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)C)[C@](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CCCCCCC)C)CC(C)C)(CC)C
Metabolite of Species Details
Trichoderma velutinum (NCBI:txid202918) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Lipovelutibol D (CHEBI:208837) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2R)-2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[2-(octanoylamino)acetyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoic acid
Manual Xref Database
78440570 ChemSpider
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