Chrysospermin B (CHEBI:204688)

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CHEBI:204688 - Chrysospermin B

ChEBI ID	CHEBI:204688
ChEBI Name	Chrysospermin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C91H142N22O23
Net Charge	0
Average Mass	1912.268
Monoisotopic Mass	1911.06182
SMILES	CCC(C)(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1cnc2ccccc12
InChI	InChI=1S/C91H142N22O23/c1-24-91(23,81(135)112-89(19,20)80(134)111-85(11,12)76(130)101-58(37-39-64(93)118)69(123)99-54(46-114)43-53-44-94-56-34-29-28-33-55(53)56)108-73(127)62-35-30-40-113(62)82(136)90(21,22)105-67(121)50(5)96-66(120)49(4)97-74(128)84(9,10)109-78(132)87(15,16)104-65(119)45-95-68(122)57(36-38-63(92)117)100-70(124)59(41-48(2)3)102-77(131)86(13,14)110-79(133)88(17,18)107-72(126)61(47-115)103-75(129)83(7,8)106-71(125)60(98-51(6)116)42-52-31-26-25-27-32-52/h25-29,31-34,44,48-50,54,57-62,94,114-115H,24,30,35-43,45-47H2,1-23H3,(H2,92,117)(H2,93,118)(H,95,122)(H,96,120)(H,97,128)(H,98,116)(H,99,123)(H,100,124)(H,101,130)(H,102,131)(H,103,129)(H,104,119)(H,105,121)(H,106,125)(H,107,126)(H,108,127)(H,109,132)(H,110,133)(H,111,134)(H,112,135)
InChIKey	RDTWQJPEVOEAOV-UHFFFAOYSA-N

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Chrysospermin B (CHEBI:204688) is a polypeptide (CHEBI:15841)

IUPAC Name
2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-N-[2-[1-[1-[1-[1-[1-[2-[N-[1-[1-[1-[1,5-dihydroxy-1-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-2-hydroxyethyl]pentanediimidic acid

IUPAC Name

2-[[2-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-N-[2-[1-[1-[1-[1-[1-[2-[N-[1-[1-[1-[1,5-dihydroxy-1-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-5-iminopentan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-2-hydroxyethyl]pentanediimidic acid

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