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CHEBI:226507 - Flesusid A

ChEBI IDCHEBI:226507
ChEBI NameFlesusid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H91N19O17
Net Charge0
Average Mass1254.416
Monoisotopic Mass1253.68403
SMILESCC(C)[C@@H](NC=O)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(=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)C(C)C
InChIInChI=1S/C52H91N19O17/c1-23(2)38(61-22-72)48(84)71-39(24(3)4)49(85)63-26(7)41(77)64-30(14-16-34(54)73)45(81)67-31(15-17-35(55)74)46(82)68-32(20-36(56)75)47(83)66-28(12-9-10-18-53)44(80)65-29(13-11-19-60-52(58)59)43(79)62-27(8)42(78)70-40(25(5)6)50(86)69-33(51(87)88)21-37(57)76/h22-33,38-40H,9-21,53H2,1-8H3,(H2,54,73)(H2,55,74)(H2,56,75)(H2,57,76)(H,61,72)(H,62,79)(H,63,85)(H,64,77)(H,65,80)(H,66,83)(H,67,81)(H,68,82)(H,69,86)(H,70,78)(H,71,84)(H,87,88)(H4,58,59,60)/t26-,27+,28+,29-,30+,31+,32-,33+,38-,39-,40-/m1/s1
InChIKeyIOYXNFUDOHBSDW-SHDJFXFRSA-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 A (CHEBI:226507) 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)-5-amino-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-ormamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid