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CHEBI:204737 - L-Leu-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH

ChEBI IDCHEBI:204737
ChEBI NameL-Leu-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H76N10O13
Net Charge0
Average Mass1013.204
Monoisotopic Mass1012.55933
SMILESC=C(C(=O)N[C@@H](C)C(=O)O)N(C)C(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc1ccccc1)OC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)OC)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C49H76N10O13/c1-27(2)23-34(50)44(65)58-38(26-41(62)72-10)46(67)56-36(17-14-22-53-49(51)52)45(66)55-35(19-18-28(3)24-29(4)39(71-9)25-33-15-12-11-13-16-33)30(5)42(63)57-37(20-21-40(60)61)47(68)59(8)32(7)43(64)54-31(6)48(69)70/h11-13,15-16,18-19,24,27,29-31,34-39H,7,14,17,20-23,25-26,50H2,1-6,8-10H3,(H,54,64)(H,55,66)(H,56,67)(H,57,63)(H,58,65)(H,60,61)(H,69,70)(H4,51,52,53)/b19-18+,28-24+/t29-,30-,31-,34-,35+,36-,37+,38+,39-/m0/s1
InChIKeyVCIRRSHFOUSDPE-HOBRTJIKSA-N
Species of MetaboliteComponentSourceComments
Nodulariaspeciesmigena (ncbitaxon:70799) - DOI (10.1016/s0040-4039(00)61500-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
L-Leu-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH (CHEBI:204737) is a peptide (CHEBI:16670)
IUPAC Name 
(4R)-4-[[(2S,3R,4E,6E,8S,9S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]amino]-5-[[3-[[(1S)-1-carboxyethyl]amino]-3-oxoprop-1-en-2-yl]-methylamino]-5-oxopentanoic acid
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