CHEBI:210581 - Surugamide F3

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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 Surugamide F3
ChEBI ID CHEBI:210581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C53H87N11O12
Net Charge 0
Average Mass 1070.344
Monoisotopic Mass 1069.65357
InChI InChI=1S/C53H87N11O12/c1-25(2)19-38(47(69)57-31(12)45(67)62-41(28(7)8)51(73)58-32(13)53(75)76)61-48(70)39(20-26(3)4)59-44(66)30(11)23-56-50(72)43(33(14)65)64-52(74)42(29(9)10)63-49(71)40(21-27(5)6)60-46(68)36(54)22-34-24-55-37-18-16-15-17-35(34)37/h15-18,24-33,36,38-43,55,65H,19-23,54H2,1-14H3,(H,56,72)(H,57,69)(H,58,73)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H,63,71)(H,64,74)(H,75,76)/t30-,31+,32+,33+,36-,38-,39+,40+,41-,42-,43-/m0/s1
InChIKey YAGDDBBKSNUSSG-DXBWZIAGSA-N
SMILES O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC=1C2=C(C=CC=C2)NC1)CC(C)C)C(C)C)[C@H](O)C)C)CC(C)C)CC(C)C)C)C(C)C)C
Metabolite of Species Details
Streptomycesspecies JAMM992 (NCBI:txid2302910) 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 Surugamide F3 (CHEBI:210581) is a peptide (CHEBI:16670)
IUPAC Name
(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
Manual Xref Database
78440592 ChemSpider
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