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CHEBI:219256 - LP2006

ChEBI IDCHEBI:219256
ChEBI NameLP2006
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC88H121N27O24S2
Net Charge0
Average Mass2005.235
Monoisotopic Mass2003.85192
SMILESCC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3cnc4ccccc34)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N2)CSSC[C@@H](C(=O)O)NC1=O
InChIInChI=1S/C88H121N27O24S2/c1-42(2)70-83(135)104-51(21-12-26-95-87(91)92)74(126)113-71(43(3)4)84(136)112-62(86(138)139)41-141-140-40-61(81(133)114-70)111-80(132)60(39-116)110-76(128)56(31-46-36-98-50-20-11-9-18-48(46)50)106-79(131)59(34-69(122)123)108-77(129)57(32-64(89)117)107-73(125)52-24-25-66(119)99-37-67(120)101-53(22-13-27-96-88(93)94)85(137)115-28-14-23-63(115)82(134)109-58(33-65(90)118)78(130)105-55(30-45-35-97-49-19-10-8-17-47(45)49)72(124)100-38-68(121)102-54(75(127)103-52)29-44-15-6-5-7-16-44/h5-11,15-20,35-36,42-43,51-63,70-71,97-98,116H,12-14,21-34,37-41H2,1-4H3,(H2,89,117)(H2,90,118)(H,99,119)(H,100,124)(H,101,120)(H,102,121)(H,103,127)(H,104,135)(H,105,130)(H,106,131)(H,107,125)(H,108,129)(H,109,134)(H,110,128)(H,111,132)(H,112,136)(H,113,126)(H,114,133)(H,122,123)(H,138,139)(H4,91,92,95)(H4,93,94,96)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-/m0/s1
InChIKeyDGLXWTNAXWDXII-QUIRKDHJSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis alba (ncbitaxon:53437) - PubMed (28244986)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LP2006 (CHEBI:219256) is a peptide (CHEBI:16670)
IUPAC Name 
(4R,7S,10S,13S,16R)-16-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3S,11S,14S,20S,23S,26S)-23-(2-amino-2-oxoethyl)-14-benzyl-3-(3-carbamimidamidopropyl)-20-(1H-indol-3-ylmethyl)-2,5,8,13,16,19,22,25-octaoxo-1,4,7,12,15,18,21,24-octazabicyclo[24.3.0]nonacosane-11-carbonyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-10-(3-carbamimidamidopropyl)-6,9,12,15-tetraoxo-7,13-di(propan-2-yl)-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid