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CHEBI:226513 - Flesusid B

ChEBI IDCHEBI:226513
ChEBI NameFlesusid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94N18O16
Net Charge0
Average Mass1239.445
Monoisotopic Mass1238.70952
SMILESCC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H](NC=O)C(C)C)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
InChIInChI=1S/C53H94N18O16/c1-24(2)20-33(67-46(80)32(16-17-36(55)73)64-42(76)28(9)63-50(84)40(26(5)6)71-49(83)39(25(3)4)61-23-72)47(81)68-34(21-37(56)74)48(82)66-30(14-11-12-18-54)45(79)65-31(15-13-19-60-53(58)59)44(78)62-29(10)43(77)70-41(27(7)8)51(85)69-35(52(86)87)22-38(57)75/h23-35,39-41H,11-22,54H2,1-10H3,(H2,55,73)(H2,56,74)(H2,57,75)(H,61,72)(H,62,78)(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,80)(H,68,81)(H,69,85)(H,70,77)(H,71,83)(H,86,87)(H4,58,59,60)/t28-,29+,30+,31-,32+,33+,34-,35+,39-,40-,41-/m1/s1
InChIKeyQFGDXNUCNQQQKX-CGOOOKLZSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus (ncbitaxon:29487) - PubMed (31693786)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Flesusid B (CHEBI:226513) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-ormamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid